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