RDKit
Open-source cheminformatics and machine learning.
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class to store MMFF parameters for angle bending More...
#include <Params.h>
Public Attributes | |
double | ka |
double | theta0 |
class to store MMFF parameters for angle bending
Definition at line 105 of file MMFF/Params.h.
double ForceFields::MMFF::MMFFAngle::ka |
Definition at line 107 of file MMFF/Params.h.
double ForceFields::MMFF::MMFFAngle::theta0 |
Definition at line 108 of file MMFF/Params.h.