RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>
#include <ForceField/Contrib.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h>
Go to the source code of this file.
Classes | |
class | ForceFields::MMFF::VdWContrib |
the van der Waals term for MMFF More... | |
class | ForceFields::MMFF::EleContrib |
the electrostatic term for MMFF More... | |
Namespaces | |
namespace | ForceFields |
namespace | ForceFields::MMFF |
namespace | ForceFields::MMFF::Utils |