Shape is a molecular conformation prediction program. It uses a genetic algorithm to efficiently search the conformational space of a biomolecule and then clusters the results. It is very simple to use.
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2009-05-28
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File released: /shapega/090213/shape.release.090213.tgz
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shapega 090213 file released: shape.release.090213.tgz
Manual was improved. Minor changes to search engine.
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mm3java
A small java API library for running the MM3 molecular mechanics package from within a java environment. It does not include MM3, nor implement MM3. The MM3 binaries have to be available on the user system.
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