mirror of
https://git.FreeBSD.org/ports.git
synced 2024-12-11 02:50:24 +00:00
b16cfcd7e9
PR: 177935 Submitted by: Ports Fury
1205 lines
52 KiB
Plaintext
1205 lines
52 KiB
Plaintext
bin/avogadro
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bin/avopkg
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include/avogadro/animation.h
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include/avogadro/atom.h
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include/avogadro/bond.h
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include/avogadro/camera.h
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include/avogadro/color.h
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include/avogadro/color3f.h
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include/avogadro/colorbutton.h
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include/avogadro/cube.h
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include/avogadro/dockextension.h
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include/avogadro/dockwidget.h
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include/avogadro/elementtranslator.h
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include/avogadro/engine.h
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include/avogadro/extension.h
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include/avogadro/fragment.h
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include/avogadro/glhit.h
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include/avogadro/global.h
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include/avogadro/glwidget.h
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include/avogadro/idlist.h
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include/avogadro/mesh.h
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include/avogadro/meshgenerator.h
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include/avogadro/molecule.h
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include/avogadro/moleculefile.h
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include/avogadro/navigate.h
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include/avogadro/neighborlist.h
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include/avogadro/obeigenconv.h
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include/avogadro/painter.h
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include/avogadro/painterdevice.h
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include/avogadro/periodictableview.h
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include/avogadro/plotaxis.h
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include/avogadro/plotobject.h
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include/avogadro/plotpoint.h
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include/avogadro/plotwidget.h
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include/avogadro/plugin.h
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include/avogadro/pluginmanager.h
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include/avogadro/primitive.h
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include/avogadro/primitivelist.h
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include/avogadro/protein.h
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%%PYTHON%%include/avogadro/pythonerror.h
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%%PYTHON%%include/avogadro/pythoninterpreter.h
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%%PYTHON%%include/avogadro/pythonscript.h
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include/avogadro/residue.h
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include/avogadro/textmatrixeditor.h
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include/avogadro/tool.h
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include/avogadro/toolgroup.h
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include/avogadro/undosequence.h
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include/avogadro/zmatrix.h
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lib/avogadro/1_1/AvogadroUse.cmake
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lib/avogadro/1_1/cmake/FindEigen2.cmake
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lib/avogadro/1_1/cmake/FindGLEW.cmake
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lib/avogadro/1_1/colors/atomindexcolor.so
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lib/avogadro/1_1/colors/chargecolor.so
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lib/avogadro/1_1/colors/customcolor.so
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lib/avogadro/1_1/colors/distancecolor.so
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lib/avogadro/1_1/colors/residuecolor.so
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lib/avogadro/1_1/colors/smartscolor.so
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lib/avogadro/1_1/engines/axesengine.so
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lib/avogadro/1_1/engines/cartoonengine.so
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lib/avogadro/1_1/engines/dipoleengine.so
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lib/avogadro/1_1/engines/forceengine.so
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lib/avogadro/1_1/engines/hbondengine.so
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lib/avogadro/1_1/engines/labelengine.so
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lib/avogadro/1_1/engines/polygonengine.so
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lib/avogadro/1_1/engines/qtaimengine.so
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lib/avogadro/1_1/engines/ribbonengine.so
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lib/avogadro/1_1/engines/ringengine.so
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lib/avogadro/1_1/engines/simplewireengine.so
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lib/avogadro/1_1/engines/sphereengine.so
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lib/avogadro/1_1/engines/stickengine.so
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lib/avogadro/1_1/engines/surfaceengine.so
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lib/avogadro/1_1/engines/wireengine.so
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lib/avogadro/1_1/extensions/animationextension.so
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lib/avogadro/1_1/extensions/cartesianextension.so
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lib/avogadro/1_1/extensions/crystallographyextension.so
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lib/avogadro/1_1/extensions/fileimportextension.so
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lib/avogadro/1_1/extensions/forcefieldextension.so
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lib/avogadro/1_1/extensions/gamessextension.so
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lib/avogadro/1_1/extensions/gl2psextension.so
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lib/avogadro/1_1/extensions/h2methylextension.so
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lib/avogadro/1_1/extensions/hydrogensextension.so
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lib/avogadro/1_1/extensions/inputfileextension.so
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lib/avogadro/1_1/extensions/insertfragmentextension.so
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lib/avogadro/1_1/extensions/insertpeptideextension.so
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lib/avogadro/1_1/extensions/invertchiralextension.so
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lib/avogadro/1_1/extensions/molecularpropextension.so
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lib/avogadro/1_1/extensions/networkfetchextension.so
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lib/avogadro/1_1/extensions/orbitalextension.so
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lib/avogadro/1_1/extensions/povrayextension.so
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lib/avogadro/1_1/extensions/propextension.so
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%%PYTHON%%lib/avogadro/1_1/extensions/pythonterminal.so
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lib/avogadro/1_1/extensions/qtaimextension.so
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lib/avogadro/1_1/extensions/selectextension.so
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lib/avogadro/1_1/extensions/spectraextension.so
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lib/avogadro/1_1/extensions/supercellextension.so
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lib/avogadro/1_1/extensions/surfaceextension.so
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lib/avogadro/1_1/extensions/swcntbuilderextension.so
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lib/avogadro/1_1/extensions/vibrationextension.so
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lib/avogadro/1_1/tools/aligntool.so
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lib/avogadro/1_1/tools/autoopttool.so
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lib/avogadro/1_1/tools/autorotatetool.so
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lib/avogadro/1_1/tools/bondcentrictool.so
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lib/avogadro/1_1/tools/clickmeasuretool.so
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lib/avogadro/1_1/tools/drawtool.so
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lib/avogadro/1_1/tools/manipulatetool.so
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lib/avogadro/1_1/tools/selectrotatetool.so
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lib/avogadro/AvogadroConfig.cmake
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lib/avogadro/AvogadroConfigVersion.cmake
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lib/avogadro/AvogadroTargets-release.cmake
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lib/avogadro/AvogadroTargets.cmake
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lib/libavogadro.so
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lib/libavogadro.so.1
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lib/libavogadro.so.1.1.0
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lib/libavogadro_OpenQube.so
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lib/libavogadro_OpenQube.so.0
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lib/libavogadro_OpenQube.so.0.1.0
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%%PYTHON%%%%PYTHON_SITELIBDIR%%/Avogadro.so
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libdata/pkgconfig/avogadro.pc
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share/applications/avogadro.desktop
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%%DATADIR%%/builder/amino/d-ala.zmat
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%%DATADIR%%/builder/amino/d-arg.zmat
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%%DATADIR%%/builder/amino/d-asn.zmat
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%%DATADIR%%/builder/amino/d-asp.zmat
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%%DATADIR%%/builder/amino/d-cys.zmat
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%%DATADIR%%/builder/amino/d-gln.zmat
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%%DATADIR%%/builder/amino/d-glu.zmat
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%%DATADIR%%/builder/amino/d-his.zmat
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%%DATADIR%%/builder/amino/d-ile.zmat
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%%DATADIR%%/builder/amino/d-leu.zmat
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%%DATADIR%%/builder/amino/d-lys.zmat
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%%DATADIR%%/builder/amino/d-met.zmat
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%%DATADIR%%/builder/amino/d-phe.zmat
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%%DATADIR%%/builder/amino/d-pro.zmat
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%%DATADIR%%/builder/amino/d-ser.zmat
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%%DATADIR%%/builder/amino/d-thr.zmat
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%%DATADIR%%/builder/amino/d-trp.zmat
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%%DATADIR%%/builder/amino/d-tyr.zmat
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%%DATADIR%%/builder/amino/d-val.zmat
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%%DATADIR%%/builder/amino/gly.zmat
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%%DATADIR%%/builder/amino/l-ala.zmat
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%%DATADIR%%/builder/amino/l-arg.zmat
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%%DATADIR%%/builder/amino/l-asn.zmat
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%%DATADIR%%/builder/amino/l-asp.zmat
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%%DATADIR%%/builder/amino/l-cys.zmat
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%%DATADIR%%/builder/amino/l-gln.zmat
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%%DATADIR%%/builder/amino/l-glu.zmat
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%%DATADIR%%/builder/amino/l-his.zmat
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%%DATADIR%%/builder/amino/l-ile.zmat
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%%DATADIR%%/builder/amino/l-leu.zmat
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%%DATADIR%%/builder/amino/l-lys.zmat
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%%DATADIR%%/builder/amino/l-met.zmat
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%%DATADIR%%/builder/amino/l-phe.zmat
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%%DATADIR%%/builder/amino/l-pro.zmat
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%%DATADIR%%/builder/amino/l-pyl.zmat
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%%DATADIR%%/builder/amino/l-sec.zmat
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%%DATADIR%%/builder/amino/l-ser.zmat
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%%DATADIR%%/builder/amino/l-thr.zmat
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%%DATADIR%%/builder/amino/l-trp.zmat
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%%DATADIR%%/builder/amino/l-tyr.zmat
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%%DATADIR%%/builder/amino/l-val.zmat
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%%DATADIR%%/crystals/antimonides/AlSb.cif
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%%DATADIR%%/crystals/antimonides/GaSb.cif
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%%DATADIR%%/crystals/antimonides/InSb.cif
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%%DATADIR%%/crystals/arsenides/AlAs.cif
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%%DATADIR%%/crystals/arsenides/BAs.cif
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%%DATADIR%%/crystals/arsenides/Co.87Fe.11Ni.13As3-Skutterudite.cif
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%%DATADIR%%/crystals/arsenides/CoAs3-Skutterudite.cif
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%%DATADIR%%/crystals/arsenides/GaAs.cif
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%%DATADIR%%/crystals/arsenides/InAs.cif
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%%DATADIR%%/crystals/arsenides/NiAs-Nickeline.cif
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%%DATADIR%%/crystals/carbides/SiC-2H-Moissanite.cif
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%%DATADIR%%/crystals/carbides/SiC-3C-beta.cif
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%%DATADIR%%/crystals/carbides/SiC-6H-alpha.cif
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%%DATADIR%%/crystals/carbides/SiC-Moissanite.cif
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%%DATADIR%%/crystals/carbides/SiC.cif
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%%DATADIR%%/crystals/carbides/W2C.cif
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%%DATADIR%%/crystals/carbides/WC.cif
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%%DATADIR%%/crystals/carbonates/CaCO3-Calcite.cif
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%%DATADIR%%/crystals/carbonates/CaMgC2O6-Dolomite.cif
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%%DATADIR%%/crystals/carbonates/Li2CO3-Zabuyelite.cif
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%%DATADIR%%/crystals/carbonates/MgCO3-Magnesite.cif
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%%DATADIR%%/crystals/carbonates/Na2CO3-Natrite.cif
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%%DATADIR%%/crystals/clays/Al2Si2O9H4-Dickite.cif
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%%DATADIR%%/crystals/clays/Al2Si2O9H4-Kaolinite.cif
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%%DATADIR%%/crystals/clays/Al2Si2O9H4-Nacrite.cif
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%%DATADIR%%/crystals/clays/Al2Si4O12Ca0.5-Montmorillonite.cif
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%%DATADIR%%/crystals/clays/Al4KSi2O12-Illite.cif
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%%DATADIR%%/crystals/clays/AlSi2O6H-Pyrophyllite.cif
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%%DATADIR%%/crystals/clays/Fe2.25Cl0.5H2.75-Fougerite.cif
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%%DATADIR%%/crystals/clays/FeSi2O6H-Nontronite.cif
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%%DATADIR%%/crystals/clays/Lepidolite.cif
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%%DATADIR%%/crystals/clays/Mg2Al2SiO9H4-Amesite.cif
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%%DATADIR%%/crystals/clays/Mg3(O12Si4)H2-Vermiculite.cif
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%%DATADIR%%/crystals/clays/Mg4Si6O22.82H13.64-Sepiolite.cif
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%%DATADIR%%/crystals/clays/Mn1.854Fe1.656Mg0.537Si0.953O9H4-Guidottiite.cif
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%%DATADIR%%/crystals/clays/Zn2SiO5H2-Hemimorphite.cif
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%%DATADIR%%/crystals/elements/Ac-Actinium.cif
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%%DATADIR%%/crystals/elements/Ag-Silver.cif
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%%DATADIR%%/crystals/elements/Al-Aluminum.cif
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%%DATADIR%%/crystals/elements/Am-Americium.cif
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%%DATADIR%%/crystals/elements/Ar-Argon.cif
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%%DATADIR%%/crystals/elements/As-Arsenic.cif
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%%DATADIR%%/crystals/elements/As-Arsenolamprite.cif
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%%DATADIR%%/crystals/elements/Au-Gold.cif
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%%DATADIR%%/crystals/elements/B-Boron.cif
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%%DATADIR%%/crystals/elements/Ba-Barium.cif
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%%DATADIR%%/crystals/elements/Be-Beryllium.cif
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%%DATADIR%%/crystals/elements/Bi-Bismuth.cif
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%%DATADIR%%/crystals/elements/Br-Bromine.cif
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%%DATADIR%%/crystals/elements/C-Diamond.cif
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%%DATADIR%%/crystals/elements/C-Graphite.cif
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%%DATADIR%%/crystals/elements/C-Lonsdaleite.cif
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%%DATADIR%%/crystals/elements/Ca-Calcium-alpha.cif
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%%DATADIR%%/crystals/elements/Ca-Calcium-beta.cif
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%%DATADIR%%/crystals/elements/Ca-Calcium-gamma.cif
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%%DATADIR%%/crystals/elements/Cd-Cadmium.cif
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%%DATADIR%%/crystals/elements/Ce-Cerium.cif
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%%DATADIR%%/crystals/elements/Cl-Chlorine.cif
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%%DATADIR%%/crystals/elements/Co-Cobalt.cif
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%%DATADIR%%/crystals/elements/Cr-Chromium.cif
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%%DATADIR%%/crystals/elements/Cs-Cesium.cif
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%%DATADIR%%/crystals/elements/Cu-Copper.cif
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%%DATADIR%%/crystals/elements/Dy-Dysprosium.cif
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%%DATADIR%%/crystals/elements/Er-Erbium.cif
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%%DATADIR%%/crystals/elements/Eu-Europium.cif
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%%DATADIR%%/crystals/elements/Fe-Iron-alpha.cif
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%%DATADIR%%/crystals/elements/Fe-Iron-beta.cif
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%%DATADIR%%/crystals/elements/Fe-Iron-delta.cif
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%%DATADIR%%/crystals/elements/Fe-Iron-gamma.cif
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%%DATADIR%%/crystals/elements/Ga-Gallium.cif
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%%DATADIR%%/crystals/elements/Gd-Gadolinium.cif
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%%DATADIR%%/crystals/elements/Ge-Germanium.cif
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%%DATADIR%%/crystals/elements/He-Helium.cif
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%%DATADIR%%/crystals/elements/Hf-Hafnium.cif
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%%DATADIR%%/crystals/elements/Ho-Holmium.cif
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%%DATADIR%%/crystals/elements/I-Iodine.cif
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%%DATADIR%%/crystals/elements/In-Indium.cif
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%%DATADIR%%/crystals/elements/Ir-Iridium.cif
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%%DATADIR%%/crystals/elements/K-Potassium.cif
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%%DATADIR%%/crystals/elements/Kr-Krypton.cif
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%%DATADIR%%/crystals/elements/La-Lanthanum.cif
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%%DATADIR%%/crystals/elements/Li-Lithium.cif
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%%DATADIR%%/crystals/elements/Lu-Lutetium.cif
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%%DATADIR%%/crystals/elements/Mg-Magnesium.cif
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%%DATADIR%%/crystals/elements/Mn-Manganese-alpha.cif
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%%DATADIR%%/crystals/elements/Mn-Manganese-delta.cif
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%%DATADIR%%/crystals/elements/Mn-Manganese-gamma.cif
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%%DATADIR%%/crystals/elements/Mo-Molybdenum.cif
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%%DATADIR%%/crystals/elements/N-Nitrogen.cif
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%%DATADIR%%/crystals/elements/Na-Sodium.cif
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%%DATADIR%%/crystals/elements/Nb-Niobium.cif
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%%DATADIR%%/crystals/elements/Nd-Neodymium.cif
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%%DATADIR%%/crystals/elements/Ne-Neon.cif
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%%DATADIR%%/crystals/elements/Ni-Nickel.cif
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%%DATADIR%%/crystals/elements/Np-Neptunium-alpha.cif
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%%DATADIR%%/crystals/elements/Np-Neptunium-beta.cif
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%%DATADIR%%/crystals/elements/Np-Neptunium-gamma.cif
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%%DATADIR%%/crystals/elements/Os-Osmium.cif
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%%DATADIR%%/crystals/elements/P-Phosphorus-black.cif
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%%DATADIR%%/crystals/elements/P-Phosphorus.cif
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%%DATADIR%%/crystals/elements/Pb-Lead.cif
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%%DATADIR%%/crystals/elements/Pd-Palladium.cif
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%%DATADIR%%/crystals/elements/Pr-Praseodymium.cif
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%%DATADIR%%/crystals/elements/Pt-Platinum.cif
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%%DATADIR%%/crystals/elements/Pu-Plutonium-alpha.cif
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%%DATADIR%%/crystals/elements/Pu-Plutonium-epsilon.cif
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%%DATADIR%%/crystals/elements/Pu-Plutonium-gamma.cif
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%%DATADIR%%/crystals/elements/Rb-Rubidium.cif
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%%DATADIR%%/crystals/elements/Re-Rhenium.cif
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%%DATADIR%%/crystals/elements/Rh-Rhodium.cif
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%%DATADIR%%/crystals/elements/Ru-Ruthenium.cif
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%%DATADIR%%/crystals/elements/S6-Sulfur.cif
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%%DATADIR%%/crystals/elements/S8-Sulfur-alpha.cif
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%%DATADIR%%/crystals/elements/S8-Sulfur-beta.cif
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%%DATADIR%%/crystals/elements/S8-Sulfur-gamma.cif
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%%DATADIR%%/crystals/elements/Sb-Antimony.cif
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%%DATADIR%%/crystals/elements/Sc-Scandium.cif
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%%DATADIR%%/crystals/elements/Se-Selenium.cif
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%%DATADIR%%/crystals/elements/Si-Silicon.cif
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%%DATADIR%%/crystals/elements/Sm-Samarium.cif
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%%DATADIR%%/crystals/elements/Sn-Tin-alpha.cif
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%%DATADIR%%/crystals/elements/Sn-Tin-beta.cif
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%%DATADIR%%/crystals/elements/Sr-Strontium.cif
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%%DATADIR%%/crystals/elements/Ta-Tantalum.cif
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%%DATADIR%%/crystals/elements/Tb-Terbium.cif
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%%DATADIR%%/crystals/elements/Te-Tellurium.cif
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%%DATADIR%%/crystals/elements/Th-Thorium.cif
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%%DATADIR%%/crystals/elements/Ti-Titanium-alpha.cif
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%%DATADIR%%/crystals/elements/Ti-Titanium-beta.cif
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%%DATADIR%%/crystals/elements/Tl-Thallium.cif
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%%DATADIR%%/crystals/elements/Tm-Thulium.cif
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%%DATADIR%%/crystals/elements/U-Uranium-alpha.cif
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%%DATADIR%%/crystals/elements/U-Uranium-gamma.cif
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%%DATADIR%%/crystals/elements/V-Vanadium.cif
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%%DATADIR%%/crystals/elements/W-Tungsten.cif
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%%DATADIR%%/crystals/elements/Xe-Xenon.cif
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%%DATADIR%%/crystals/elements/Y-Yttrium.cif
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%%DATADIR%%/crystals/elements/Yb-Ytterbium.cif
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%%DATADIR%%/crystals/elements/Zn-Zinc.cif
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%%DATADIR%%/crystals/elements/Zr-Zirconium.cif
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%%DATADIR%%/crystals/halides/AgBr-Bromargyrite.cif
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%%DATADIR%%/crystals/halides/AgCl-Chlorargyrite.cif
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%%DATADIR%%/crystals/halides/AlCl3.cif
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%%DATADIR%%/crystals/halides/AlNa3F6-Cryolite.cif
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%%DATADIR%%/crystals/halides/CaF2-Fluorite.cif
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%%DATADIR%%/crystals/halides/CdCl2.cif
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%%DATADIR%%/crystals/halides/CdI2.cif
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%%DATADIR%%/crystals/halides/CrCl2.cif
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%%DATADIR%%/crystals/halides/CrCl3.cif
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%%DATADIR%%/crystals/halides/CsCl.cif
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%%DATADIR%%/crystals/halides/FeCl3-Molysite.cif
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%%DATADIR%%/crystals/halides/HgCl-Calomel.cif
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%%DATADIR%%/crystals/halides/KBr.cif
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%%DATADIR%%/crystals/halides/KCl-Sylvite.cif
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%%DATADIR%%/crystals/halides/NaCl-Halite.cif
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%%DATADIR%%/crystals/halides/PbFCl-Matlockite.cif
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%%DATADIR%%/crystals/hydrides/KH.cif
|
|
%%DATADIR%%/crystals/hydrides/LiH.cif
|
|
%%DATADIR%%/crystals/hydrides/NaH.cif
|
|
%%DATADIR%%/crystals/hydrides/PdH.cif
|
|
%%DATADIR%%/crystals/hydroxides/Ca(OH)2-Portlandite.cif
|
|
%%DATADIR%%/crystals/hydroxides/KOH.cif
|
|
%%DATADIR%%/crystals/hydroxides/LiOH.cif
|
|
%%DATADIR%%/crystals/hydroxides/Mg(OH)2-Brucite.cif
|
|
%%DATADIR%%/crystals/hydroxides/Ni(OH)2-Theophrastite.cif
|
|
%%DATADIR%%/crystals/ice/H2O-Ice-II.cif
|
|
%%DATADIR%%/crystals/ice/H2O-Ice-III.cif
|
|
%%DATADIR%%/crystals/ice/H2O-Ice-IV.cif
|
|
%%DATADIR%%/crystals/ice/H2O-Ice-Ih.cif
|
|
%%DATADIR%%/crystals/ice/H2O-Ice-VI.cif
|
|
%%DATADIR%%/crystals/ice/H2O-Ice-VII.cif
|
|
%%DATADIR%%/crystals/ice/H2O-Ice.cif
|
|
%%DATADIR%%/crystals/intermetallics/(Cu0.5Fe0.5)Pt-Tulameenite.cif
|
|
%%DATADIR%%/crystals/intermetallics/(Ni0.5Fe0.5)Pt-Ferronickelplatinum.cif
|
|
%%DATADIR%%/crystals/intermetallics/Au3Cu-Bogdanovite.cif
|
|
%%DATADIR%%/crystals/intermetallics/AuCu-Tetraauricupride.cif
|
|
%%DATADIR%%/crystals/intermetallics/BiPd-Sobolevskite.cif
|
|
%%DATADIR%%/crystals/intermetallics/CoFe-Wairauite.cif
|
|
%%DATADIR%%/crystals/intermetallics/Cu2MnAl-Heusler.cif
|
|
%%DATADIR%%/crystals/intermetallics/FePt-Tetraferroplatinum.cif
|
|
%%DATADIR%%/crystals/intermetallics/PtBi.cif
|
|
%%DATADIR%%/crystals/nitrides/AlN.cif
|
|
%%DATADIR%%/crystals/nitrides/BN.cif
|
|
%%DATADIR%%/crystals/nitrides/GaN.cif
|
|
%%DATADIR%%/crystals/nitrides/InN.cif
|
|
%%DATADIR%%/crystals/nitrides/Si3N4-beta.cif
|
|
%%DATADIR%%/crystals/other/(NH4)MgPO4-6(H2O)-Struvite.cif
|
|
%%DATADIR%%/crystals/other/C10H10Fe-Ferrocene.cif
|
|
%%DATADIR%%/crystals/other/Ca2C4O10H2.57-Oxalate-Whewellite.cif
|
|
%%DATADIR%%/crystals/other/CaC2O6.375H6-Oxalate-Weddellite.cif
|
|
%%DATADIR%%/crystals/other/FeMnO3-Bixbyite.cif
|
|
%%DATADIR%%/crystals/other/H3N-Ammonia.cif
|
|
%%DATADIR%%/crystals/other/LaAlO3.cif
|
|
%%DATADIR%%/crystals/other/LiNbO3-LithiumNiobate.cif
|
|
%%DATADIR%%/crystals/other/Pb1Ti0.35Zr0.65O3-PZT-cub.cif
|
|
%%DATADIR%%/crystals/other/Pb1Ti0.35Zr0.65O3-PZT-rhomb.cif
|
|
%%DATADIR%%/crystals/other/YBa2Cu3O6.9-YBCO.cif
|
|
%%DATADIR%%/crystals/oxides/(MgAl2)O4-Spinel.cif
|
|
%%DATADIR%%/crystals/oxides/Ag2O.cif
|
|
%%DATADIR%%/crystals/oxides/AgO.cif
|
|
%%DATADIR%%/crystals/oxides/Al2O3-Corundum.cif
|
|
%%DATADIR%%/crystals/oxides/BaO.cif
|
|
%%DATADIR%%/crystals/oxides/CaO-Lime.cif
|
|
%%DATADIR%%/crystals/oxides/CdO-Monteponite.cif
|
|
%%DATADIR%%/crystals/oxides/CeO2-Cerianite.cif
|
|
%%DATADIR%%/crystals/oxides/CoFe2O4.cif
|
|
%%DATADIR%%/crystals/oxides/CoO.cif
|
|
%%DATADIR%%/crystals/oxides/Cr2O3-Eskolaite.cif
|
|
%%DATADIR%%/crystals/oxides/Cu2O-Cuprite.cif
|
|
%%DATADIR%%/crystals/oxides/CuO-Tenorite.cif
|
|
%%DATADIR%%/crystals/oxides/Fe2O3-Hematite.cif
|
|
%%DATADIR%%/crystals/oxides/Fe3O4-Magnetite.cif
|
|
%%DATADIR%%/crystals/oxides/FeO-Wustite.cif
|
|
%%DATADIR%%/crystals/oxides/GeO2-Argutite-tetrag.cif
|
|
%%DATADIR%%/crystals/oxides/GeO2-Argutite.cif
|
|
%%DATADIR%%/crystals/oxides/GeO2.cif
|
|
%%DATADIR%%/crystals/oxides/HfO2.cif
|
|
%%DATADIR%%/crystals/oxides/In2O3-IndiumOxide.cif
|
|
%%DATADIR%%/crystals/oxides/In2O3.cif
|
|
%%DATADIR%%/crystals/oxides/IrO2.cif
|
|
%%DATADIR%%/crystals/oxides/K2O.cif
|
|
%%DATADIR%%/crystals/oxides/La2O3-LanthanumOxide-A.cif
|
|
%%DATADIR%%/crystals/oxides/Li2O.cif
|
|
%%DATADIR%%/crystals/oxides/MgO-Periclase.cif
|
|
%%DATADIR%%/crystals/oxides/MnO-Manganosite.cif
|
|
%%DATADIR%%/crystals/oxides/MnO2-Pyrolusite.cif
|
|
%%DATADIR%%/crystals/oxides/MoO2-Tugarinovite.cif
|
|
%%DATADIR%%/crystals/oxides/MoO3-Molybdite.cif
|
|
%%DATADIR%%/crystals/oxides/Na2O.cif
|
|
%%DATADIR%%/crystals/oxides/NbO.cif
|
|
%%DATADIR%%/crystals/oxides/NbO2.cif
|
|
%%DATADIR%%/crystals/oxides/NiFe2O4.cif
|
|
%%DATADIR%%/crystals/oxides/NiO-Bunsenite.cif
|
|
%%DATADIR%%/crystals/oxides/PbO.cif
|
|
%%DATADIR%%/crystals/oxides/PbO2-Scrutinyite.cif
|
|
%%DATADIR%%/crystals/oxides/PdO.cif
|
|
%%DATADIR%%/crystals/oxides/PtO2-beta.cif
|
|
%%DATADIR%%/crystals/oxides/Rb2O.cif
|
|
%%DATADIR%%/crystals/oxides/Rh2O3.cif
|
|
%%DATADIR%%/crystals/oxides/RuO2.cif
|
|
%%DATADIR%%/crystals/oxides/Sc2O3.cif
|
|
%%DATADIR%%/crystals/oxides/SiO2-Coesite.cif
|
|
%%DATADIR%%/crystals/oxides/SiO2-Cristobalite.cif
|
|
%%DATADIR%%/crystals/oxides/SiO2-Quartz-alpha.cif
|
|
%%DATADIR%%/crystals/oxides/SiO2-Quartz-beta.cif
|
|
%%DATADIR%%/crystals/oxides/SiO2-Stishovite.cif
|
|
%%DATADIR%%/crystals/oxides/SmO.cif
|
|
%%DATADIR%%/crystals/oxides/SnO.cif
|
|
%%DATADIR%%/crystals/oxides/SnO2-Cassiterite.cif
|
|
%%DATADIR%%/crystals/oxides/SrO.cif
|
|
%%DATADIR%%/crystals/oxides/TaO.cif
|
|
%%DATADIR%%/crystals/oxides/TiO2-Anatase.cif
|
|
%%DATADIR%%/crystals/oxides/TiO2-Brookite.cif
|
|
%%DATADIR%%/crystals/oxides/TiO2-Rutile.cif
|
|
%%DATADIR%%/crystals/oxides/UO.cif
|
|
%%DATADIR%%/crystals/oxides/UO2-Uraninite.cif
|
|
%%DATADIR%%/crystals/oxides/V2O3-Karelianite.cif
|
|
%%DATADIR%%/crystals/oxides/V2O5-Shcherbinaite.cif
|
|
%%DATADIR%%/crystals/oxides/VO.cif
|
|
%%DATADIR%%/crystals/oxides/VO2.cif
|
|
%%DATADIR%%/crystals/oxides/WO2.cif
|
|
%%DATADIR%%/crystals/oxides/Y2O3.cif
|
|
%%DATADIR%%/crystals/oxides/YbO.cif
|
|
%%DATADIR%%/crystals/oxides/ZnO-Zincite.cif
|
|
%%DATADIR%%/crystals/oxides/ZrO.cif
|
|
%%DATADIR%%/crystals/oxides/ZrO2-Cubic.cif
|
|
%%DATADIR%%/crystals/phosphides/AlP.cif
|
|
%%DATADIR%%/crystals/phosphides/BP.cif
|
|
%%DATADIR%%/crystals/phosphides/GaP.cif
|
|
%%DATADIR%%/crystals/phosphides/InP.cif
|
|
%%DATADIR%%/crystals/selenides/Bi2Se3.cif
|
|
%%DATADIR%%/crystals/selenides/BiSe.cif
|
|
%%DATADIR%%/crystals/selenides/CdSe-Cadmoselite.cif
|
|
%%DATADIR%%/crystals/selenides/HgSe-Tiemannite.cif
|
|
%%DATADIR%%/crystals/selenides/PbSe-Clausthalite.cif
|
|
%%DATADIR%%/crystals/selenides/Sb2Se3-Antimonselite.cif
|
|
%%DATADIR%%/crystals/selenides/ZnSe.cif
|
|
%%DATADIR%%/crystals/silicates/Be3Al2(SiO3)6-Beryl.cif
|
|
%%DATADIR%%/crystals/sulfates/BaSO4-Barite.cif
|
|
%%DATADIR%%/crystals/sulfates/CaSO4-2(H2O)-Gypsum.cif
|
|
%%DATADIR%%/crystals/sulfates/CaSO4-Anhydrite.cif
|
|
%%DATADIR%%/crystals/sulfates/CoSO4.cif
|
|
%%DATADIR%%/crystals/sulfates/CuSO4.cif
|
|
%%DATADIR%%/crystals/sulfates/MgSO4.cif
|
|
%%DATADIR%%/crystals/sulfates/PbSO4-Anglesite.cif
|
|
%%DATADIR%%/crystals/sulfates/SrSO4-Celestine.cif
|
|
%%DATADIR%%/crystals/sulfides/Bi2S3-Bismuthinite.cif
|
|
%%DATADIR%%/crystals/sulfides/CdS-Greenockite.cif
|
|
%%DATADIR%%/crystals/sulfides/CdS-Hawleyite.cif
|
|
%%DATADIR%%/crystals/sulfides/FeS.cif
|
|
%%DATADIR%%/crystals/sulfides/FeS2-Pyrite.cif
|
|
%%DATADIR%%/crystals/sulfides/HgS-Metacinnabar.cif
|
|
%%DATADIR%%/crystals/sulfides/PbS-Galena.cif
|
|
%%DATADIR%%/crystals/sulfides/Sb2S3-Stibnite.cif
|
|
%%DATADIR%%/crystals/sulfides/SnS-Herzenbergite.cif
|
|
%%DATADIR%%/crystals/sulfides/ZnS-Sphalerite.cif
|
|
%%DATADIR%%/crystals/sulfides/ZnS-Wurtzite-2H.cif
|
|
%%DATADIR%%/crystals/sulfides/ZnS-Zincblende.cif
|
|
%%DATADIR%%/crystals/telurides/Bi2Te3.cif
|
|
%%DATADIR%%/crystals/telurides/BiTe.cif
|
|
%%DATADIR%%/crystals/telurides/CdTe.cif
|
|
%%DATADIR%%/crystals/telurides/PbTe-Altaite.cif
|
|
%%DATADIR%%/crystals/telurides/ZnTe.cif
|
|
%%DATADIR%%/crystals/titanates/BaTiO3.cif
|
|
%%DATADIR%%/crystals/titanates/CaTiO3-Perovskite.cif
|
|
%%DATADIR%%/crystals/titanates/Mg2TiO4-Qandilite-cubic.cif
|
|
%%DATADIR%%/crystals/titanates/Mg2TiO4-Qandilite-tetrag.cif
|
|
%%DATADIR%%/crystals/titanates/MgTiO3.cif
|
|
%%DATADIR%%/crystals/titanates/SrTiO3-Tausonite.cif
|
|
%%DATADIR%%/crystals/zeolites/ABW.cif
|
|
%%DATADIR%%/crystals/zeolites/ACO.cif
|
|
%%DATADIR%%/crystals/zeolites/AEI.cif
|
|
%%DATADIR%%/crystals/zeolites/AEL.cif
|
|
%%DATADIR%%/crystals/zeolites/AEN.cif
|
|
%%DATADIR%%/crystals/zeolites/AET.cif
|
|
%%DATADIR%%/crystals/zeolites/AFG.cif
|
|
%%DATADIR%%/crystals/zeolites/AFI.cif
|
|
%%DATADIR%%/crystals/zeolites/AFN.cif
|
|
%%DATADIR%%/crystals/zeolites/AFO.cif
|
|
%%DATADIR%%/crystals/zeolites/AFR.cif
|
|
%%DATADIR%%/crystals/zeolites/AFS.cif
|
|
%%DATADIR%%/crystals/zeolites/AFT.cif
|
|
%%DATADIR%%/crystals/zeolites/AFX.cif
|
|
%%DATADIR%%/crystals/zeolites/AFY.cif
|
|
%%DATADIR%%/crystals/zeolites/AHT.cif
|
|
%%DATADIR%%/crystals/zeolites/ANA.cif
|
|
%%DATADIR%%/crystals/zeolites/APC.cif
|
|
%%DATADIR%%/crystals/zeolites/APD.cif
|
|
%%DATADIR%%/crystals/zeolites/AST.cif
|
|
%%DATADIR%%/crystals/zeolites/ASV.cif
|
|
%%DATADIR%%/crystals/zeolites/ATN.cif
|
|
%%DATADIR%%/crystals/zeolites/ATO.cif
|
|
%%DATADIR%%/crystals/zeolites/ATS.cif
|
|
%%DATADIR%%/crystals/zeolites/ATT.cif
|
|
%%DATADIR%%/crystals/zeolites/ATV.cif
|
|
%%DATADIR%%/crystals/zeolites/AWO.cif
|
|
%%DATADIR%%/crystals/zeolites/AWW.cif
|
|
%%DATADIR%%/crystals/zeolites/BCT.cif
|
|
%%DATADIR%%/crystals/zeolites/BEA.cif
|
|
%%DATADIR%%/crystals/zeolites/BEC.cif
|
|
%%DATADIR%%/crystals/zeolites/BIK.cif
|
|
%%DATADIR%%/crystals/zeolites/BOF.cif
|
|
%%DATADIR%%/crystals/zeolites/BOG.cif
|
|
%%DATADIR%%/crystals/zeolites/BPH.cif
|
|
%%DATADIR%%/crystals/zeolites/BRE.cif
|
|
%%DATADIR%%/crystals/zeolites/BSV.cif
|
|
%%DATADIR%%/crystals/zeolites/CAN.cif
|
|
%%DATADIR%%/crystals/zeolites/CAS.cif
|
|
%%DATADIR%%/crystals/zeolites/CDO.cif
|
|
%%DATADIR%%/crystals/zeolites/CFI.cif
|
|
%%DATADIR%%/crystals/zeolites/CGF.cif
|
|
%%DATADIR%%/crystals/zeolites/CGS.cif
|
|
%%DATADIR%%/crystals/zeolites/CHA.cif
|
|
%%DATADIR%%/crystals/zeolites/CHI.cif
|
|
%%DATADIR%%/crystals/zeolites/CLO.cif
|
|
%%DATADIR%%/crystals/zeolites/CON.cif
|
|
%%DATADIR%%/crystals/zeolites/CZP.cif
|
|
%%DATADIR%%/crystals/zeolites/DAC.cif
|
|
%%DATADIR%%/crystals/zeolites/DDR.cif
|
|
%%DATADIR%%/crystals/zeolites/DFO.cif
|
|
%%DATADIR%%/crystals/zeolites/DFT.cif
|
|
%%DATADIR%%/crystals/zeolites/DOH.cif
|
|
%%DATADIR%%/crystals/zeolites/DON.cif
|
|
%%DATADIR%%/crystals/zeolites/EAB.cif
|
|
%%DATADIR%%/crystals/zeolites/EDI.cif
|
|
%%DATADIR%%/crystals/zeolites/EMT.cif
|
|
%%DATADIR%%/crystals/zeolites/EON.cif
|
|
%%DATADIR%%/crystals/zeolites/EPI.cif
|
|
%%DATADIR%%/crystals/zeolites/ERI.cif
|
|
%%DATADIR%%/crystals/zeolites/ESV.cif
|
|
%%DATADIR%%/crystals/zeolites/ETR.cif
|
|
%%DATADIR%%/crystals/zeolites/EUO.cif
|
|
%%DATADIR%%/crystals/zeolites/EZT.cif
|
|
%%DATADIR%%/crystals/zeolites/FAR.cif
|
|
%%DATADIR%%/crystals/zeolites/FAU.cif
|
|
%%DATADIR%%/crystals/zeolites/FER.cif
|
|
%%DATADIR%%/crystals/zeolites/FRA.cif
|
|
%%DATADIR%%/crystals/zeolites/GIS.cif
|
|
%%DATADIR%%/crystals/zeolites/GIU.cif
|
|
%%DATADIR%%/crystals/zeolites/GME.cif
|
|
%%DATADIR%%/crystals/zeolites/GON.cif
|
|
%%DATADIR%%/crystals/zeolites/GOO.cif
|
|
%%DATADIR%%/crystals/zeolites/HEU.cif
|
|
%%DATADIR%%/crystals/zeolites/IFR.cif
|
|
%%DATADIR%%/crystals/zeolites/IHW.cif
|
|
%%DATADIR%%/crystals/zeolites/IMF.cif
|
|
%%DATADIR%%/crystals/zeolites/IRR.cif
|
|
%%DATADIR%%/crystals/zeolites/ISV.cif
|
|
%%DATADIR%%/crystals/zeolites/ITE.cif
|
|
%%DATADIR%%/crystals/zeolites/ITH.cif
|
|
%%DATADIR%%/crystals/zeolites/ITR.cif
|
|
%%DATADIR%%/crystals/zeolites/ITV.cif
|
|
%%DATADIR%%/crystals/zeolites/ITW.cif
|
|
%%DATADIR%%/crystals/zeolites/IWR.cif
|
|
%%DATADIR%%/crystals/zeolites/IWS.cif
|
|
%%DATADIR%%/crystals/zeolites/IWV.cif
|
|
%%DATADIR%%/crystals/zeolites/IWW.cif
|
|
%%DATADIR%%/crystals/zeolites/JBW.cif
|
|
%%DATADIR%%/crystals/zeolites/JRY.cif
|
|
%%DATADIR%%/crystals/zeolites/KFI.cif
|
|
%%DATADIR%%/crystals/zeolites/LAU.cif
|
|
%%DATADIR%%/crystals/zeolites/LEV.cif
|
|
%%DATADIR%%/crystals/zeolites/LIO.cif
|
|
%%DATADIR%%/crystals/zeolites/LIT.cif
|
|
%%DATADIR%%/crystals/zeolites/LOS.cif
|
|
%%DATADIR%%/crystals/zeolites/LOV.cif
|
|
%%DATADIR%%/crystals/zeolites/LTA.cif
|
|
%%DATADIR%%/crystals/zeolites/LTF.cif
|
|
%%DATADIR%%/crystals/zeolites/LTL.cif
|
|
%%DATADIR%%/crystals/zeolites/LTN.cif
|
|
%%DATADIR%%/crystals/zeolites/MAR.cif
|
|
%%DATADIR%%/crystals/zeolites/MAZ.cif
|
|
%%DATADIR%%/crystals/zeolites/MEI.cif
|
|
%%DATADIR%%/crystals/zeolites/MEL.cif
|
|
%%DATADIR%%/crystals/zeolites/MEP.cif
|
|
%%DATADIR%%/crystals/zeolites/MER.cif
|
|
%%DATADIR%%/crystals/zeolites/MFI.cif
|
|
%%DATADIR%%/crystals/zeolites/MFS.cif
|
|
%%DATADIR%%/crystals/zeolites/MON.cif
|
|
%%DATADIR%%/crystals/zeolites/MOR.cif
|
|
%%DATADIR%%/crystals/zeolites/MOZ.cif
|
|
%%DATADIR%%/crystals/zeolites/MRE.cif
|
|
%%DATADIR%%/crystals/zeolites/MSE.cif
|
|
%%DATADIR%%/crystals/zeolites/MSO.cif
|
|
%%DATADIR%%/crystals/zeolites/MTF.cif
|
|
%%DATADIR%%/crystals/zeolites/MTN.cif
|
|
%%DATADIR%%/crystals/zeolites/MTT.cif
|
|
%%DATADIR%%/crystals/zeolites/MTW.cif
|
|
%%DATADIR%%/crystals/zeolites/MVY.cif
|
|
%%DATADIR%%/crystals/zeolites/MWW.cif
|
|
%%DATADIR%%/crystals/zeolites/NAB.cif
|
|
%%DATADIR%%/crystals/zeolites/NAT.cif
|
|
%%DATADIR%%/crystals/zeolites/NES.cif
|
|
%%DATADIR%%/crystals/zeolites/NON.cif
|
|
%%DATADIR%%/crystals/zeolites/NPO.cif
|
|
%%DATADIR%%/crystals/zeolites/NSI.cif
|
|
%%DATADIR%%/crystals/zeolites/OBW.cif
|
|
%%DATADIR%%/crystals/zeolites/OFF.cif
|
|
%%DATADIR%%/crystals/zeolites/OSI.cif
|
|
%%DATADIR%%/crystals/zeolites/OSO.cif
|
|
%%DATADIR%%/crystals/zeolites/OWE.cif
|
|
%%DATADIR%%/crystals/zeolites/PAR.cif
|
|
%%DATADIR%%/crystals/zeolites/PAU.cif
|
|
%%DATADIR%%/crystals/zeolites/PHI.cif
|
|
%%DATADIR%%/crystals/zeolites/PON.cif
|
|
%%DATADIR%%/crystals/zeolites/PUN.cif
|
|
%%DATADIR%%/crystals/zeolites/RHO.cif
|
|
%%DATADIR%%/crystals/zeolites/RON.cif
|
|
%%DATADIR%%/crystals/zeolites/RRO.cif
|
|
%%DATADIR%%/crystals/zeolites/RSN.cif
|
|
%%DATADIR%%/crystals/zeolites/RTE.cif
|
|
%%DATADIR%%/crystals/zeolites/RTH.cif
|
|
%%DATADIR%%/crystals/zeolites/RUT.cif
|
|
%%DATADIR%%/crystals/zeolites/RWR.cif
|
|
%%DATADIR%%/crystals/zeolites/RWY.cif
|
|
%%DATADIR%%/crystals/zeolites/SAF.cif
|
|
%%DATADIR%%/crystals/zeolites/SAO.cif
|
|
%%DATADIR%%/crystals/zeolites/SAS.cif
|
|
%%DATADIR%%/crystals/zeolites/SAT.cif
|
|
%%DATADIR%%/crystals/zeolites/SAV.cif
|
|
%%DATADIR%%/crystals/zeolites/SBE.cif
|
|
%%DATADIR%%/crystals/zeolites/SBN.cif
|
|
%%DATADIR%%/crystals/zeolites/SBS.cif
|
|
%%DATADIR%%/crystals/zeolites/SBT.cif
|
|
%%DATADIR%%/crystals/zeolites/SFE.cif
|
|
%%DATADIR%%/crystals/zeolites/SFF.cif
|
|
%%DATADIR%%/crystals/zeolites/SFG.cif
|
|
%%DATADIR%%/crystals/zeolites/SFH.cif
|
|
%%DATADIR%%/crystals/zeolites/SFN.cif
|
|
%%DATADIR%%/crystals/zeolites/SFO.cif
|
|
%%DATADIR%%/crystals/zeolites/SFS.cif
|
|
%%DATADIR%%/crystals/zeolites/SGT.cif
|
|
%%DATADIR%%/crystals/zeolites/SIV.cif
|
|
%%DATADIR%%/crystals/zeolites/SOD.cif
|
|
%%DATADIR%%/crystals/zeolites/SOF.cif
|
|
%%DATADIR%%/crystals/zeolites/SOS.cif
|
|
%%DATADIR%%/crystals/zeolites/SSF.cif
|
|
%%DATADIR%%/crystals/zeolites/SSY.cif
|
|
%%DATADIR%%/crystals/zeolites/STF.cif
|
|
%%DATADIR%%/crystals/zeolites/STI.cif
|
|
%%DATADIR%%/crystals/zeolites/STO.cif
|
|
%%DATADIR%%/crystals/zeolites/STT.cif
|
|
%%DATADIR%%/crystals/zeolites/STW.cif
|
|
%%DATADIR%%/crystals/zeolites/SVR.cif
|
|
%%DATADIR%%/crystals/zeolites/SZR.cif
|
|
%%DATADIR%%/crystals/zeolites/TER.cif
|
|
%%DATADIR%%/crystals/zeolites/THO.cif
|
|
%%DATADIR%%/crystals/zeolites/TOL.cif
|
|
%%DATADIR%%/crystals/zeolites/TON.cif
|
|
%%DATADIR%%/crystals/zeolites/TSC.cif
|
|
%%DATADIR%%/crystals/zeolites/TUN.cif
|
|
%%DATADIR%%/crystals/zeolites/UEI.cif
|
|
%%DATADIR%%/crystals/zeolites/UFI.cif
|
|
%%DATADIR%%/crystals/zeolites/UOS.cif
|
|
%%DATADIR%%/crystals/zeolites/UOZ.cif
|
|
%%DATADIR%%/crystals/zeolites/USI.cif
|
|
%%DATADIR%%/crystals/zeolites/UTL.cif
|
|
%%DATADIR%%/crystals/zeolites/UWY.cif
|
|
%%DATADIR%%/crystals/zeolites/VET.cif
|
|
%%DATADIR%%/crystals/zeolites/VFI.cif
|
|
%%DATADIR%%/crystals/zeolites/VNI.cif
|
|
%%DATADIR%%/crystals/zeolites/VSV.cif
|
|
%%DATADIR%%/crystals/zeolites/WEI.cif
|
|
%%DATADIR%%/crystals/zeolites/WEN.cif
|
|
%%DATADIR%%/crystals/zeolites/YUG.cif
|
|
%%DATADIR%%/crystals/zeolites/ZON.cif
|
|
%%DATADIR%%/crystals/zeolites/ZSM-5.cif
|
|
%%DATADIR%%/fragments/alcohols/2-aminoethanol.cml
|
|
%%DATADIR%%/fragments/alcohols/but-2-yne-1_4-diol.cml
|
|
%%DATADIR%%/fragments/alcohols/cyclohexanol.cml
|
|
%%DATADIR%%/fragments/alcohols/cyclopentanol.cml
|
|
%%DATADIR%%/fragments/alcohols/ethane-1_2-diol.cml
|
|
%%DATADIR%%/fragments/alcohols/ethanol.cml
|
|
%%DATADIR%%/fragments/alcohols/methanol.cml
|
|
%%DATADIR%%/fragments/alcohols/propan-1-ol.cml
|
|
%%DATADIR%%/fragments/alcohols/propan-2-ol.cml
|
|
%%DATADIR%%/fragments/alcohols/propane-1_2_3-triol.cml
|
|
%%DATADIR%%/fragments/aldehydes/acetaldehyde.cml
|
|
%%DATADIR%%/fragments/aldehydes/formaldehyde.cml
|
|
%%DATADIR%%/fragments/alkanes/2-methylpropane.cml
|
|
%%DATADIR%%/fragments/alkanes/butane.cml
|
|
%%DATADIR%%/fragments/alkanes/decane.cml
|
|
%%DATADIR%%/fragments/alkanes/dodecane.cml
|
|
%%DATADIR%%/fragments/alkanes/eicosane.cml
|
|
%%DATADIR%%/fragments/alkanes/ethane.cml
|
|
%%DATADIR%%/fragments/alkanes/heptane.cml
|
|
%%DATADIR%%/fragments/alkanes/hexadecane.cml
|
|
%%DATADIR%%/fragments/alkanes/hexane.cml
|
|
%%DATADIR%%/fragments/alkanes/methane.cml
|
|
%%DATADIR%%/fragments/alkanes/nonane.cml
|
|
%%DATADIR%%/fragments/alkanes/octane.cml
|
|
%%DATADIR%%/fragments/alkanes/pentadecane.cml
|
|
%%DATADIR%%/fragments/alkanes/pentane.cml
|
|
%%DATADIR%%/fragments/alkanes/propane.cml
|
|
%%DATADIR%%/fragments/alkanes/tetracosane.cml
|
|
%%DATADIR%%/fragments/alkanes/tetradecane.cml
|
|
%%DATADIR%%/fragments/alkanes/tridecane.cml
|
|
%%DATADIR%%/fragments/alkanes/undecane.cml
|
|
%%DATADIR%%/fragments/alkenes/2-methylbut-2-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/2-methylbuta-1_3-diene.cml
|
|
%%DATADIR%%/fragments/alkenes/3E-penta-1_3-diene.cml
|
|
%%DATADIR%%/fragments/alkenes/3Z-penta-1_3-diene.cml
|
|
%%DATADIR%%/fragments/alkenes/3Z_3-ethylhepta-1_3-diene.cml
|
|
%%DATADIR%%/fragments/alkenes/E-but-2-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/E-hept-2-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/E-hept-3-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/E-hex-2-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/E-hex-3-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/E-oct-2-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/E-oct-3-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/E-oct-4-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/E-pent-2-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/Z-but-2-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/Z-hept-2-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/Z-hept-3-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/Z-hex-2-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/Z-hex-3-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/Z-oct-2-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/Z-oct-3-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/Z-oct-4-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/Z-pent-2-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/but-1-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/ethene.cml
|
|
%%DATADIR%%/fragments/alkenes/hept-1-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/hex-1-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/oct-1-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/pent-1-ene.cml
|
|
%%DATADIR%%/fragments/alkenes/propene.cml
|
|
%%DATADIR%%/fragments/alkynes/acetylene.cml
|
|
%%DATADIR%%/fragments/alkynes/propyne.cml
|
|
%%DATADIR%%/fragments/amides/N_N-dimethylacetamide.cml
|
|
%%DATADIR%%/fragments/amides/N_N-dimethylformamide.cml
|
|
%%DATADIR%%/fragments/amides/acetamide.cml
|
|
%%DATADIR%%/fragments/amides/ethyl_carbamate.cml
|
|
%%DATADIR%%/fragments/amides/oxamide.cml
|
|
%%DATADIR%%/fragments/amines/1H-azepine.cml
|
|
%%DATADIR%%/fragments/amines/2-aminopropane.cml
|
|
%%DATADIR%%/fragments/amines/S-sec-butylamine.cml
|
|
%%DATADIR%%/fragments/amines/ammonia.cml
|
|
%%DATADIR%%/fragments/amines/azepane.cml
|
|
%%DATADIR%%/fragments/amines/diethylamine.cml
|
|
%%DATADIR%%/fragments/amines/dimethylamine.cml
|
|
%%DATADIR%%/fragments/amines/ethylamine.cml
|
|
%%DATADIR%%/fragments/amines/methylamine.cml
|
|
%%DATADIR%%/fragments/amines/piperazine.cml
|
|
%%DATADIR%%/fragments/amines/piperidine.cml
|
|
%%DATADIR%%/fragments/amines/pyrrolidine.cml
|
|
%%DATADIR%%/fragments/amines/tert-butylamine.cml
|
|
%%DATADIR%%/fragments/amines/triethylamine.cml
|
|
%%DATADIR%%/fragments/amines/triethylenediamine.cml
|
|
%%DATADIR%%/fragments/amines/trimethylamine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-alanine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-allo-threonine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-arginine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-asparagine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-aspartic_acid.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-cysteine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-glutamic_acid.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-glutamine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-histidine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-isoleucine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-leucine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-lysine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-methionine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-phenylalanine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-proline.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-serine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-threonine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-tryptophan.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-tyrosine.cml
|
|
%%DATADIR%%/fragments/amino_acids/D-valine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-4-nitrophenylalanine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-alanine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-allo-isoleucine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-arginine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-asparagine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-aspartic_acid.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-cysteine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-glutamic_acid.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-glutamine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-histidine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-isoleucine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-leucine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-lysine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-methionine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-phenylalanine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-proline.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-serine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-threonine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-tryptophan.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-tyrosine.cml
|
|
%%DATADIR%%/fragments/amino_acids/L-valine.cml
|
|
%%DATADIR%%/fragments/amino_acids/glycine.cml
|
|
%%DATADIR%%/fragments/aromatics/1H-indene.cml
|
|
%%DATADIR%%/fragments/aromatics/1H-indole.cml
|
|
%%DATADIR%%/fragments/aromatics/1_10-phenanthroline.cml
|
|
%%DATADIR%%/fragments/aromatics/1_8-naphthyridine.cml
|
|
%%DATADIR%%/fragments/aromatics/2H-chromene.cml
|
|
%%DATADIR%%/fragments/aromatics/4H-chromene.cml
|
|
%%DATADIR%%/fragments/aromatics/7H-purine.cml
|
|
%%DATADIR%%/fragments/aromatics/9H-carbazole.cml
|
|
%%DATADIR%%/fragments/aromatics/9H-fluorene.cml
|
|
%%DATADIR%%/fragments/aromatics/9H-xanthene.cml
|
|
%%DATADIR%%/fragments/aromatics/acenaphthene.cml
|
|
%%DATADIR%%/fragments/aromatics/acenaphthenequinone.cml
|
|
%%DATADIR%%/fragments/aromatics/acenaphthylene.cml
|
|
%%DATADIR%%/fragments/aromatics/acridine.cml
|
|
%%DATADIR%%/fragments/aromatics/aniline.cml
|
|
%%DATADIR%%/fragments/aromatics/anisole.cml
|
|
%%DATADIR%%/fragments/aromatics/anthracene.cml
|
|
%%DATADIR%%/fragments/aromatics/benzaldehyde.cml
|
|
%%DATADIR%%/fragments/aromatics/benzene.cml
|
|
%%DATADIR%%/fragments/aromatics/benzofuran.cml
|
|
%%DATADIR%%/fragments/aromatics/benzoic_acid.cml
|
|
%%DATADIR%%/fragments/aromatics/benzothiophene.cml
|
|
%%DATADIR%%/fragments/aromatics/benzoyl_chloride.cml
|
|
%%DATADIR%%/fragments/aromatics/caffeine.cml
|
|
%%DATADIR%%/fragments/aromatics/chromone.cml
|
|
%%DATADIR%%/fragments/aromatics/cinnoline.cml
|
|
%%DATADIR%%/fragments/aromatics/coumarin.cml
|
|
%%DATADIR%%/fragments/aromatics/isoquinoline.cml
|
|
%%DATADIR%%/fragments/aromatics/naphthalene.cml
|
|
%%DATADIR%%/fragments/aromatics/nitrobenzene.cml
|
|
%%DATADIR%%/fragments/aromatics/phenanthrene.cml
|
|
%%DATADIR%%/fragments/aromatics/phenol.cml
|
|
%%DATADIR%%/fragments/aromatics/phthalimide.cml
|
|
%%DATADIR%%/fragments/aromatics/quinazoline.cml
|
|
%%DATADIR%%/fragments/aromatics/quinoline.cml
|
|
%%DATADIR%%/fragments/aromatics/tetralin.cml
|
|
%%DATADIR%%/fragments/aromatics/toluene.cml
|
|
%%DATADIR%%/fragments/aromatics/uric_acid.cml
|
|
%%DATADIR%%/fragments/carbamides/urea.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-allose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-altrose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-arabinose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-erythrose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-erythrulose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-fructose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-galactose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-glucose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-glyceraldehyde.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-gulose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-idose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-lyxose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-mannose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-psicose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-ribose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-ribulose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-sorbose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-tagatose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-talose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-threose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-xylose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/d-xylulose.cml
|
|
%%DATADIR%%/fragments/carbohydrates/dihydroxyacetone.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/2_2-dichloroacetic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/2_2_2-trichloroacetic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/2_2_2-trifluoroacetic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/D-lactic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/D-malic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/D-tartaric_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/E-butanoic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/E-butenedioic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/L-ascorbic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/L-lactic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/L-malic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/L-tartaric_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/acetic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/butanoic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/citric_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/formic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/isobutyric_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/oxalic_acid.cml
|
|
%%DATADIR%%/fragments/carboxylic_acids/propanoic_acid.cml
|
|
%%DATADIR%%/fragments/coordination/3-trigonal-planar.cml
|
|
%%DATADIR%%/fragments/coordination/3-trigonal-pyramidal.cml
|
|
%%DATADIR%%/fragments/coordination/4-planar.cml
|
|
%%DATADIR%%/fragments/coordination/4-tetrahedral.cml
|
|
%%DATADIR%%/fragments/coordination/5-square-pyramidal.cml
|
|
%%DATADIR%%/fragments/coordination/5-trigonal-bipyramidal.cml
|
|
%%DATADIR%%/fragments/coordination/6-octahedral.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/1R-camphene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/1R-camphor.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/abietic_acid.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/adamantane.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/cis-decahydronaphthalene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/cubane.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/cyclobutane.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/cyclodecane.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/cycloheptane.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/cyclohexane-chair.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/cyclohexane-twist-boat.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/cyclohexane.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/cyclononane.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/cyclooctane.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/cyclopentane.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/cyclopropane.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/norbornane.cml
|
|
%%DATADIR%%/fragments/cyclic_alkanes/trans-decahydronaphthalene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/Z-cycloheptene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/Z-cyclooctene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/cyclohepta-1_3-diene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/cyclohepta-1_3_5-triene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/cyclohepta-1_4-diene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/cyclohexa-1_3-diene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/cyclohexa-1_4-diene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/cyclohexene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/cycloocta-1_3-diene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/cycloocta-1_3_5-triene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/cycloocta-1_3_5_7-tetraene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/cyclopenta-1_3-diene.cml
|
|
%%DATADIR%%/fragments/cyclic_alkenes/cyclopentene.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-allopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-arabinopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-fucopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-galactopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-galacturonopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-glucopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-glucuronopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-gulopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-idopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-lyxopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-mannopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-psicopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-rhamnopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-ribopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-tagatopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-talopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-xylopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-arabinopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-fucopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-galactopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-lyxopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-rhamnopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-ribopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-sorbopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-xylopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-allopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-arabinopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-fructopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-fucopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-galactopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-glucopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-gulopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-idopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-lyxopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-mannopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-rhamnopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-ribopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-tagatopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-talopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-D-xylopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-L-arabinopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-L-lyxopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-L-ribopyranose.cml
|
|
%%DATADIR%%/fragments/cyclic_sugars/beta-L-xylopyranose.cml
|
|
%%DATADIR%%/fragments/ethers/1_4-dioxane.cml
|
|
%%DATADIR%%/fragments/ethers/di-tert-butylether.cml
|
|
%%DATADIR%%/fragments/ethers/dibutylether.cml
|
|
%%DATADIR%%/fragments/ethers/diethylether.cml
|
|
%%DATADIR%%/fragments/ethers/diisopropylether.cml
|
|
%%DATADIR%%/fragments/ethers/dimethylether.cml
|
|
%%DATADIR%%/fragments/ethers/dipropylether.cml
|
|
%%DATADIR%%/fragments/ethers/ethylmethylether.cml
|
|
%%DATADIR%%/fragments/ethers/tetrahydrofuran.cml
|
|
%%DATADIR%%/fragments/ethers/tetrahydropyran.cml
|
|
%%DATADIR%%/fragments/fatty_acids/arachidonic_acid.cml
|
|
%%DATADIR%%/fragments/fatty_acids/cervonic_acid.cml
|
|
%%DATADIR%%/fragments/fatty_acids/decanoic_acid.cml
|
|
%%DATADIR%%/fragments/fatty_acids/hexanoic_acid.cml
|
|
%%DATADIR%%/fragments/fatty_acids/lauric_acid.cml
|
|
%%DATADIR%%/fragments/fatty_acids/linoleic_acid.cml
|
|
%%DATADIR%%/fragments/fatty_acids/linolenic_acid.cml
|
|
%%DATADIR%%/fragments/fatty_acids/myristic_acid.cml
|
|
%%DATADIR%%/fragments/fatty_acids/octanoic_acid.cml
|
|
%%DATADIR%%/fragments/fatty_acids/oleic_acid.cml
|
|
%%DATADIR%%/fragments/fatty_acids/palmitic_acid.cml
|
|
%%DATADIR%%/fragments/fatty_acids/pentanoic_acid.cml
|
|
%%DATADIR%%/fragments/fatty_acids/stearic_acid.cml
|
|
%%DATADIR%%/fragments/fullerenes/C180.cml
|
|
%%DATADIR%%/fragments/fullerenes/C20.cml
|
|
%%DATADIR%%/fragments/fullerenes/C24.cml
|
|
%%DATADIR%%/fragments/fullerenes/C240.cml
|
|
%%DATADIR%%/fragments/fullerenes/C26.cml
|
|
%%DATADIR%%/fragments/fullerenes/C28.cml
|
|
%%DATADIR%%/fragments/fullerenes/C30.cml
|
|
%%DATADIR%%/fragments/fullerenes/C32.cml
|
|
%%DATADIR%%/fragments/fullerenes/C36.cml
|
|
%%DATADIR%%/fragments/fullerenes/C50.cml
|
|
%%DATADIR%%/fragments/fullerenes/C60-buckminsterfullerene.cml
|
|
%%DATADIR%%/fragments/fullerenes/C70.cml
|
|
%%DATADIR%%/fragments/fullerenes/C76.cml
|
|
%%DATADIR%%/fragments/fullerenes/C78.cml
|
|
%%DATADIR%%/fragments/fullerenes/C80.cml
|
|
%%DATADIR%%/fragments/fullerenes/PC70BM.cml
|
|
%%DATADIR%%/fragments/fullerenes/PCBM.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/1H-indole.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/1H-pyrazole.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/1H-pyrrole.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/1_2-oxazole.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/1_2-thiazole.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/1_3-oxazole.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/1_3-thiazole.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/benzofuran.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/benzothiophene.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/furan.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/isonicotinamide.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/isonicotinic_acid.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/nicotinamide.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/nicotinic_acid.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/picolinamide.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/picolinic_acid.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/pyridine.cml
|
|
%%DATADIR%%/fragments/heteroaromatics/thiophene.cml
|
|
%%DATADIR%%/fragments/ketones/acetone.cml
|
|
%%DATADIR%%/fragments/ketones/butanone.cml
|
|
%%DATADIR%%/fragments/ketones/cyclohexanone.cml
|
|
%%DATADIR%%/fragments/ketones/methyl_vinyl_ketone.cml
|
|
%%DATADIR%%/fragments/ketones/p-benzoquinone.cml
|
|
%%DATADIR%%/fragments/ligands/Cp-cyclopentadienyl.cml
|
|
%%DATADIR%%/fragments/macrocycles/phthalocyanine.cml
|
|
%%DATADIR%%/fragments/macrocycles/porphin.cml
|
|
%%DATADIR%%/fragments/nitriles/1_1_1-trichloroacetonitrile.cml
|
|
%%DATADIR%%/fragments/nitriles/acetonitrile.cml
|
|
%%DATADIR%%/fragments/nitriles/butyronitrile.cml
|
|
%%DATADIR%%/fragments/nitriles/isobutyronitrile.cml
|
|
%%DATADIR%%/fragments/nitriles/propionitrile.cml
|
|
%%DATADIR%%/fragments/nucleobases/adenine.cml
|
|
%%DATADIR%%/fragments/nucleobases/cytosine.cml
|
|
%%DATADIR%%/fragments/nucleobases/guanine.cml
|
|
%%DATADIR%%/fragments/nucleobases/thymine.cml
|
|
%%DATADIR%%/fragments/nucleobases/uracil.cml
|
|
%%DATADIR%%/fragments/steroids/cholesterol.cml
|
|
%%DATADIR%%/fragments/steroids/estradiol.cml
|
|
%%DATADIR%%/fragments/steroids/testosterone.cml
|
|
%%DATADIR%%/fragments/sulfoxides/dimethyl_sulfoxide.cml
|
|
%%DATADIR%%/fragments/thiols/2-methylproprane-2-thiol.cml
|
|
%%DATADIR%%/fragments/thiols/R_butane-2-thiol.cml
|
|
%%DATADIR%%/fragments/thiols/butane-1-thiol.cml
|
|
%%DATADIR%%/fragments/thiols/ethane-1_2-dithiol.cml
|
|
%%DATADIR%%/fragments/thiols/ethanethiol.cml
|
|
%%DATADIR%%/fragments/thiols/heptane-1-thiol.cml
|
|
%%DATADIR%%/fragments/thiols/hexane-1-thiol.cml
|
|
%%DATADIR%%/fragments/thiols/methanethiol.cml
|
|
%%DATADIR%%/fragments/thiols/octane-1-thiol.cml
|
|
%%DATADIR%%/fragments/thiols/pentane-1-thiol.cml
|
|
%%DATADIR%%/fragments/thiols/proprane-1-thiol.cml
|
|
%%DATADIR%%/fragments/thiols/proprane-2-thiol.cml
|
|
%%DATADIR%%/fragments/water.cml
|
|
%%DATADIR%%/i18n/avogadro_af.qm
|
|
%%DATADIR%%/i18n/avogadro_ar.qm
|
|
%%DATADIR%%/i18n/avogadro_bg.qm
|
|
%%DATADIR%%/i18n/avogadro_ca.qm
|
|
%%DATADIR%%/i18n/avogadro_ca@valencia.qm
|
|
%%DATADIR%%/i18n/avogadro_cs.qm
|
|
%%DATADIR%%/i18n/avogadro_da.qm
|
|
%%DATADIR%%/i18n/avogadro_de.qm
|
|
%%DATADIR%%/i18n/avogadro_el.qm
|
|
%%DATADIR%%/i18n/avogadro_en_AU.qm
|
|
%%DATADIR%%/i18n/avogadro_en_CA.qm
|
|
%%DATADIR%%/i18n/avogadro_en_GB.qm
|
|
%%DATADIR%%/i18n/avogadro_es.qm
|
|
%%DATADIR%%/i18n/avogadro_eu.qm
|
|
%%DATADIR%%/i18n/avogadro_fi.qm
|
|
%%DATADIR%%/i18n/avogadro_fr.qm
|
|
%%DATADIR%%/i18n/avogadro_gl.qm
|
|
%%DATADIR%%/i18n/avogadro_he.qm
|
|
%%DATADIR%%/i18n/avogadro_hr.qm
|
|
%%DATADIR%%/i18n/avogadro_hu.qm
|
|
%%DATADIR%%/i18n/avogadro_id.qm
|
|
%%DATADIR%%/i18n/avogadro_it.qm
|
|
%%DATADIR%%/i18n/avogadro_ja.qm
|
|
%%DATADIR%%/i18n/avogadro_kn.qm
|
|
%%DATADIR%%/i18n/avogadro_ko.qm
|
|
%%DATADIR%%/i18n/avogadro_nb.qm
|
|
%%DATADIR%%/i18n/avogadro_nl.qm
|
|
%%DATADIR%%/i18n/avogadro_oc.qm
|
|
%%DATADIR%%/i18n/avogadro_pl.qm
|
|
%%DATADIR%%/i18n/avogadro_pt.qm
|
|
%%DATADIR%%/i18n/avogadro_pt_BR.qm
|
|
%%DATADIR%%/i18n/avogadro_ru.qm
|
|
%%DATADIR%%/i18n/avogadro_sk.qm
|
|
%%DATADIR%%/i18n/avogadro_sr.qm
|
|
%%DATADIR%%/i18n/avogadro_sv.qm
|
|
%%DATADIR%%/i18n/avogadro_th.qm
|
|
%%DATADIR%%/i18n/avogadro_tr.qm
|
|
%%DATADIR%%/i18n/avogadro_ug.qm
|
|
%%DATADIR%%/i18n/avogadro_uk.qm
|
|
%%DATADIR%%/i18n/avogadro_vi.qm
|
|
%%DATADIR%%/i18n/avogadro_zh_CN.qm
|
|
%%DATADIR%%/i18n/avogadro_zh_TW.qm
|
|
%%DATADIR%%/i18n/libavogadro_ar.qm
|
|
%%DATADIR%%/i18n/libavogadro_bg.qm
|
|
%%DATADIR%%/i18n/libavogadro_bs.qm
|
|
%%DATADIR%%/i18n/libavogadro_ca.qm
|
|
%%DATADIR%%/i18n/libavogadro_ca@valencia.qm
|
|
%%DATADIR%%/i18n/libavogadro_cs.qm
|
|
%%DATADIR%%/i18n/libavogadro_da.qm
|
|
%%DATADIR%%/i18n/libavogadro_de.qm
|
|
%%DATADIR%%/i18n/libavogadro_el.qm
|
|
%%DATADIR%%/i18n/libavogadro_en_AU.qm
|
|
%%DATADIR%%/i18n/libavogadro_en_CA.qm
|
|
%%DATADIR%%/i18n/libavogadro_en_GB.qm
|
|
%%DATADIR%%/i18n/libavogadro_es.qm
|
|
%%DATADIR%%/i18n/libavogadro_eu.qm
|
|
%%DATADIR%%/i18n/libavogadro_fi.qm
|
|
%%DATADIR%%/i18n/libavogadro_fr.qm
|
|
%%DATADIR%%/i18n/libavogadro_gl.qm
|
|
%%DATADIR%%/i18n/libavogadro_he.qm
|
|
%%DATADIR%%/i18n/libavogadro_hi.qm
|
|
%%DATADIR%%/i18n/libavogadro_hu.qm
|
|
%%DATADIR%%/i18n/libavogadro_id.qm
|
|
%%DATADIR%%/i18n/libavogadro_it.qm
|
|
%%DATADIR%%/i18n/libavogadro_ja.qm
|
|
%%DATADIR%%/i18n/libavogadro_kn.qm
|
|
%%DATADIR%%/i18n/libavogadro_ko.qm
|
|
%%DATADIR%%/i18n/libavogadro_nb.qm
|
|
%%DATADIR%%/i18n/libavogadro_nl.qm
|
|
%%DATADIR%%/i18n/libavogadro_oc.qm
|
|
%%DATADIR%%/i18n/libavogadro_pl.qm
|
|
%%DATADIR%%/i18n/libavogadro_pt.qm
|
|
%%DATADIR%%/i18n/libavogadro_pt_BR.qm
|
|
%%DATADIR%%/i18n/libavogadro_ru.qm
|
|
%%DATADIR%%/i18n/libavogadro_sk.qm
|
|
%%DATADIR%%/i18n/libavogadro_sr.qm
|
|
%%DATADIR%%/i18n/libavogadro_sv.qm
|
|
%%DATADIR%%/i18n/libavogadro_tr.qm
|
|
%%DATADIR%%/i18n/libavogadro_ug.qm
|
|
%%DATADIR%%/i18n/libavogadro_uk.qm
|
|
%%DATADIR%%/i18n/libavogadro_vi.qm
|
|
%%DATADIR%%/i18n/libavogadro_zh_CN.qm
|
|
%%DATADIR%%/i18n/libavogadro_zh_TW.qm
|
|
%%PYTHON%%share/libavogadro/engineScripts/wireframe.py
|
|
%%PYTHON%%share/libavogadro/extensionScripts/example.py
|
|
share/pixmaps/avogadro-icon.png
|
|
share/qt4/mkspecs/features/avogadro.prf
|
|
%%PYTHON%%@dirrm share/libavogadro/extensionScripts
|
|
%%PYTHON%%@dirrm share/libavogadro/engineScripts
|
|
%%PYTHON%%@dirrm share/libavogadro
|
|
@dirrm %%DATADIR%%/i18n
|
|
@dirrm %%DATADIR%%/fragments/thiols
|
|
@dirrm %%DATADIR%%/fragments/sulfoxides
|
|
@dirrm %%DATADIR%%/fragments/steroids
|
|
@dirrm %%DATADIR%%/fragments/nucleobases
|
|
@dirrm %%DATADIR%%/fragments/nitriles
|
|
@dirrm %%DATADIR%%/fragments/macrocycles
|
|
@dirrm %%DATADIR%%/fragments/ligands
|
|
@dirrm %%DATADIR%%/fragments/ketones
|
|
@dirrm %%DATADIR%%/fragments/heteroaromatics
|
|
@dirrm %%DATADIR%%/fragments/fullerenes
|
|
@dirrm %%DATADIR%%/fragments/fatty_acids
|
|
@dirrm %%DATADIR%%/fragments/ethers
|
|
@dirrm %%DATADIR%%/fragments/cyclic_sugars
|
|
@dirrm %%DATADIR%%/fragments/cyclic_alkenes
|
|
@dirrm %%DATADIR%%/fragments/cyclic_alkanes
|
|
@dirrm %%DATADIR%%/fragments/coordination
|
|
@dirrm %%DATADIR%%/fragments/carboxylic_acids
|
|
@dirrm %%DATADIR%%/fragments/carbohydrates
|
|
@dirrm %%DATADIR%%/fragments/carbamides
|
|
@dirrm %%DATADIR%%/fragments/aromatics
|
|
@dirrm %%DATADIR%%/fragments/amino_acids
|
|
@dirrm %%DATADIR%%/fragments/amines
|
|
@dirrm %%DATADIR%%/fragments/amides
|
|
@dirrm %%DATADIR%%/fragments/alkynes
|
|
@dirrm %%DATADIR%%/fragments/alkenes
|
|
@dirrm %%DATADIR%%/fragments/alkanes
|
|
@dirrm %%DATADIR%%/fragments/aldehydes
|
|
@dirrm %%DATADIR%%/fragments/alcohols
|
|
@dirrm %%DATADIR%%/fragments
|
|
@dirrm %%DATADIR%%/crystals/zeolites
|
|
@dirrm %%DATADIR%%/crystals/titanates
|
|
@dirrm %%DATADIR%%/crystals/telurides
|
|
@dirrm %%DATADIR%%/crystals/sulfides
|
|
@dirrm %%DATADIR%%/crystals/sulfates
|
|
@dirrm %%DATADIR%%/crystals/silicates
|
|
@dirrm %%DATADIR%%/crystals/selenides
|
|
@dirrm %%DATADIR%%/crystals/phosphides
|
|
@dirrm %%DATADIR%%/crystals/oxides
|
|
@dirrm %%DATADIR%%/crystals/other
|
|
@dirrm %%DATADIR%%/crystals/nitrides
|
|
@dirrm %%DATADIR%%/crystals/intermetallics
|
|
@dirrm %%DATADIR%%/crystals/ice
|
|
@dirrm %%DATADIR%%/crystals/hydroxides
|
|
@dirrm %%DATADIR%%/crystals/hydrides
|
|
@dirrm %%DATADIR%%/crystals/halides
|
|
@dirrm %%DATADIR%%/crystals/elements
|
|
@dirrm %%DATADIR%%/crystals/clays
|
|
@dirrm %%DATADIR%%/crystals/carbonates
|
|
@dirrm %%DATADIR%%/crystals/carbides
|
|
@dirrm %%DATADIR%%/crystals/arsenides
|
|
@dirrm %%DATADIR%%/crystals/antimonides
|
|
@dirrm %%DATADIR%%/crystals
|
|
@dirrm %%DATADIR%%/builder/amino
|
|
@dirrm %%DATADIR%%/builder
|
|
@dirrm %%DATADIR%%
|
|
@dirrmtry share/applications
|
|
@dirrm lib/avogadro/1_1/tools
|
|
@dirrm lib/avogadro/1_1/extensions
|
|
@dirrm lib/avogadro/1_1/engines
|
|
@dirrm lib/avogadro/1_1/colors
|
|
@dirrm lib/avogadro/1_1/cmake
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@dirrm lib/avogadro/1_1
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@dirrm lib/avogadro
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@dirrm include/avogadro
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