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package allowing the following: * User-specific atom definitions and polymer chemistry definitions; * Powerful sequence editing with user-defined glyphs for each monomer and monomer chemical modification. Multi-region selections; * Polymer sequence chemical/enzymatic cleavage; * Intramolecular cross-linking, like disulfide bonds with total resolution of the peptides generated upon enzymatic cleavage; * Gas-phase fragmentation of oligomers; * Mass-to-charge ratio calculations with inline change of ionization agent; * Calculation of net electrical charge and of isoelectric point (even by taking into account monomer modifications if polymer is a protein); * Simulation of isotopic patterns for any chemical formula and z charge; * A number of plugins allow 1) translation of the sequence from one format to another (using a dictionary, like between the 1-letter code and the 3-letter code of proteins) 2) conversion of number format according to any localized number format 3) sort mass lists. PR: ports/146564 Submitted by: Gvozdikov Veniamin <g.veniamin@googlemail.com>
21 lines
1.1 KiB
Plaintext
21 lines
1.1 KiB
Plaintext
The massXpert project aims at providing (bio)chemists with a software
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package allowing the following:
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* User-specific atom definitions and polymer chemistry definitions;
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* Powerful sequence editing with user-defined glyphs for each monomer
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and monomer chemical modification. Multi-region selections;
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* Polymer sequence chemical/enzymatic cleavage;
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* Intramolecular cross-linking, like disulfide bonds with total resolution
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of the peptides generated upon enzymatic cleavage;
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* Gas-phase fragmentation of oligomers;
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* Mass-to-charge ratio calculations with inline change of ionization agent;
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* Calculation of net electrical charge and of isoelectric point (even by
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taking into account monomer modifications if polymer is a protein);
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* Simulation of isotopic patterns for any chemical formula and z charge;
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* A number of plugins allow 1) translation of the sequence from one format
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to another (using a dictionary, like between the 1-letter code and the 3-letter
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code of proteins) 2) conversion of number format according to any localized
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number format 3) sort mass lists.
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WWW: http://massxpert.org/
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