Tools for protein and ligand analysis

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Revision as of 23:45, 18 April 2013 by Oliv Eidam (talk | contribs)
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  • Plop: minimize ligand and active site
  • omega.py: change settings for ligand conformation generation
  • screen3d: align ligands in 3D
  • Phenix: calculate electron densities and display them in Pymol
  • filter.py: calculate atoms distances of DOCK poses
  • FlexPepDock: peptide docking
  • Niu Huang DOCK: ligand clustering and pose sampling
  • DOCK6 RMSD: calculate ligand RMSDs