RDKit
Open-source cheminformatics and machine learning.
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#include <Params.h>
Public Attributes | |
double | bci |
class to store MMFF bond-charge-increment parameters used to construct MMFF partial atomic charges
Definition at line 75 of file MMFF/Params.h.
double ForceFields::MMFF::MMFFChg::bci |
Definition at line 77 of file MMFF/Params.h.