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Published January 2, 2018 | Version 0.20.0
Software Open

choderalab/yank: 0.20.0 - Mutations and PDBFixer

Authors/Creators

  • 1. @choderalab
  • 2. Memorial Sloan Kettering Cancer Center

Description

Features Added this Release
  • PDB Mutations can now be specified in the molecules header under pdbfixer and apply_mutations directives
  • Generalized PDBFixer options for molecules

Files

choderalab/yank-0.20.0.zip

Files (8.3 MB)

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md5:2e5ff12fc076adfc9609164739f9e7c8
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Additional details

Related works

Is supplement to
https://github.com/choderalab/yank/tree/0.20.0 (URL)