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RDKit
Open-source cheminformatics and machine learning.
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This is the complete list of members for ForceFields::MMFF::MMFFChgCollection, including all inherited members.
getMMFFChg(const std::string &mmffChg="") | ForceFields::MMFF::MMFFChgCollection | static |
getMMFFChgParams(const unsigned int bondType, const unsigned int iAtomType, const unsigned int jAtomType) | ForceFields::MMFF::MMFFChgCollection | inline |