choderalab/yank: 0.20.0 - Mutations and PDBFixer

Software OPEN SOURCE
Andrea Rizzi; John Chodera; Levi Naden; Kyle Beauchamp; Patrick Grinaway; Bas Rustenburg; Steven Albanese;
(2018)

Features Added this Release <ul> <li>PDB Mutations can now be specified in the <code>molecules</code> header under <code>pdbfixer</code> and <code>apply_mutations</code> directives</li> <li>Generalized PDBFixer options for <code>molecules</code></li> </ul>
Share - Bookmark

  • Download from
    Zenodo via Zenodo (Software, 2018)
  • Cite this software