RDKit
Open-source cheminformatics and machine learning.
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class to store UFF parameters for angle bending More...
#include <Params.h>
Public Attributes | |
double | ka |
double | theta0 |
class to store UFF parameters for angle bending
Definition at line 42 of file UFF/Params.h.
double ForceFields::UFF::UFFAngle::ka |
Definition at line 44 of file UFF/Params.h.
double ForceFields::UFF::UFFAngle::theta0 |
Definition at line 45 of file UFF/Params.h.