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 67 of file MMFF/Params.h.
double ForceFields::MMFF::MMFFPBCI::fcadj |
Definition at line 70 of file MMFF/Params.h.
double ForceFields::MMFF::MMFFPBCI::pbci |
Definition at line 69 of file MMFF/Params.h.