The awesome http://www.mayachemtools.org/index.htmlMayaChemTools has a couple of new additions and updates.

Two new command line scripts:

• RDKitEnumerateTautomers.py http://www.mayachemtools.org/docs/scripts/html/RDKitEnumerateTautomers.html
• RDKitStandardizeMolecules.py http://www.mayachemtools.org/docs/scripts/html/RDKitStandardizeMolecules.html

In addition, the Psi4PerformTorsionScan.py and RDKitPerformTorsionScan.py scripts have been updated to optionally filter matched torsions by atom indices for performing torsion scans. A number of enhancements have been made to PyMOLVisualizeMacromolecules.py script including visualization of docked poses.

All scripts are listed here http://www.mayachemtools.org/docs/scripts/html/index.html.