Package org.openscience.cdk.libio.cml
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Interface Summary Interface Description ICMLCustomizer Interface for classes that allow the Convertor to be customized for certain features. -
Class Summary Class Description Convertor MDMoleculeCustomizer Customize persistence of MDMolecule by adding support for residues and charge groups.PDBAtomCustomizer QSARCustomizer Customizer for the libio-cml Convertor to be able to export details for QSAR descriptors calculated for Molecules.