Hi All,
I'll like to share with you the availability of the following new command line scripts: o Psi4GenerateConstrainedConformers.py <http://www.mayachemtools.org/docs/scripts/html/Psi4GenerateConstrainedConfo rmers.html> o Psi4PerformConstrainedMinimization.py <http://www.mayachemtools.org/docs/scripts/html/Psi4PerformConstrainedMinimi zation.html> o Psi4PerformTorsionScan.py <http://www.mayachemtools.org/docs/scripts/html/Psi4PerformTorsionScan.html> These scripts rely on the presence of Psi4 <https://psicode.org/> and RDKit in your environment. In addition, the script RDKitPerformTorsionScan.py <http://www.mayachemtools.org/docs/scripts/html/RDKitPerformTorsionScan.html > has been enhanced to support multiprocessing at the level of torsion angles during the torsion scan. Please visit MayaChemTools <http://www.mayachemtools.org/index.html> for further details. Your feedback is welcome. Thanks, Manish
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