RDKit
Open-source cheminformatics and machine learning.
MMFF/PositionConstraint.h File Reference
#include <iostream>
#include <ForceField/Contrib.h>
#include <Geometry/point.h>

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Classes

class  ForceFields::MMFF::PositionConstraintContrib
 A position constraint of the type 0.5k * deltaX^2. More...
 

Namespaces

 ForceFields
 
 ForceFields::MMFF