Pinned Repositories
DM-AS-Chooser
molextract
Parse Molcas/OpenMolcas (and other computational chemistry software) output files in a modular way
molUP
molUP is a VMD extension that provides a simple manner for loading and saving Gaussian files, and analyze related results.
pdbxyz-xyzpdb
Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.
Dong Lab's Repositories
sdonglab/molextract
Parse Molcas/OpenMolcas (and other computational chemistry software) output files in a modular way
sdonglab/DM-AS-Chooser
sdonglab/molUP
molUP is a VMD extension that provides a simple manner for loading and saving Gaussian files, and analyze related results.
sdonglab/pdbxyz-xyzpdb
Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.