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freebsd-ports/biology/tinker/pkg-descr

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Tinker is a set of small programs for doing general purpose molecular
modeling. Tools are included for energy minimizations, geometry
calculations, and molecular analysis calculations. Tools for
converting coordinate sets are also provided.
Tinker employs several force fields and minimizaation techniques.
Simulated annealing and molecular dynamics can be performed with
Tinker.
For more information visit the web page at:
http://dasher.wustl.edu/tinker/