RDKit
Open-source cheminformatics and machine learning.
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CrystalFF Directory Reference

Directories

 torsionData
 

Files

 GaussianTorsionAngleContribs.h
 
 PlanarityContribs.h
 
 TorsionAngleContribs.h
 
 TorsionAngleM6.h
 
 TorsionPreferences.h