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RDKit
Open-source cheminformatics and machine learning.
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class to store MMFF Partial Bond Charge Increments More...
#include <Params.h>
Public Attributes | |
| double | pbci |
| double | fcadj |
class to store MMFF Partial Bond Charge Increments
Definition at line 66 of file MMFF/Params.h.
| double ForceFields::MMFF::MMFFPBCI::fcadj |
Definition at line 69 of file MMFF/Params.h.
| double ForceFields::MMFF::MMFFPBCI::pbci |
Definition at line 68 of file MMFF/Params.h.