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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::NonbondedContrib |
| combined vdW and charge terms for MMFF More... | |
| 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 |