Open-source cheminformatics and machine learning.
ForceFields::MMFF::MMFFChg Class Reference

#include <Params.h>

Public Attributes

double bci

Detailed Description

class to store MMFF bond-charge-increment parameters used to construct MMFF partial atomic charges

Definition at line 80 of file MMFF/Params.h.

Member Data Documentation

double ForceFields::MMFF::MMFFChg::bci

Definition at line 82 of file MMFF/Params.h.

The documentation for this class was generated from the following file: