Dong Lab
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molextract
molextract PublicParse Molcas/OpenMolcas (and other computational chemistry software) output files in a modular way
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molUP
molUP PublicForked from BioSIM-Research-Group/molUP
molUP is a VMD extension that provides a simple manner for loading and saving Gaussian files, and analyze related results.
Tcl 1
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pdbxyz-xyzpdb
pdbxyz-xyzpdb PublicForked from emleddin/pdbxyz-xyzpdb
Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.
Python
Repositories
- molextract Public
Parse Molcas/OpenMolcas (and other computational chemistry software) output files in a modular way
sdonglab/molextract’s past year of commit activity - pdbxyz-xyzpdb Public Forked from emleddin/pdbxyz-xyzpdb
Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.
sdonglab/pdbxyz-xyzpdb’s past year of commit activity - DM-AS-Chooser Public
sdonglab/DM-AS-Chooser’s past year of commit activity
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