RDKit: ForceFields::MMFF::MMFFChg Class Reference

| RDKit Open-source cheminformatics and machine learning.

Loading...
Searching...
No Matches
Public Attributes | List of all members
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 74 of file MMFF/Params.h.

## Member Data Documentation

## ◆ bci

double ForceFields::MMFF::MMFFChg::bci

Definition at line 76 of file MMFF/Params.h.

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

- MMFF/Params.h