Tools for protein and ligand analysis: Difference between revisions
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Oliv Eidam (talk | contribs) No edit summary |
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*[http://wiki.uoft.bkslab.org/index.php/filter.py: filter.py]: calculate atoms distances of DOCK poses | *[http://wiki.uoft.bkslab.org/index.php/filter.py: filter.py]: calculate atoms distances of DOCK poses | ||
*[http://wiki.uoft.bkslab.org/index.php/FlexPepDock FlexPepDock]: peptide docking | *[http://wiki.uoft.bkslab.org/index.php/FlexPepDock FlexPepDock]: peptide docking | ||
*[http://wiki.uoft.bkslab.org/index.php/ | *[http://wiki.uoft.bkslab.org/index.php/Dock_Sampling DOCK Sampling]: pose sampling in DOCK | ||
*[http://wiki.uoft.bkslab.org/index.php/Calculate_DOCK6_RMSD DOCK6 RMSD]: calculate ligand RMSDs | *[http://wiki.uoft.bkslab.org/index.php/Calculate_DOCK6_RMSD DOCK6 RMSD]: calculate ligand RMSDs | ||
Revision as of 18:00, 8 May 2013
- Plop: minimize ligand and active site
- omega.parm: 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
- DOCK Sampling: pose sampling in DOCK
- DOCK6 RMSD: calculate ligand RMSDs