Package org.xmlcml.cml.element

Examples of org.xmlcml.cml.element.CMLMolecule

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            }
          }
         
          if (state.cmlMol == null && state.smiles != null) {
            //build from smiles
            CMLMolecule cmlMolecule = SMILESTool.createMolecule(state.smiles);
            CMLCml cml = new CMLCml();
            cml.appendChild(cmlMolecule);
            if (state.inchi !=null){
              StructureConverter.enhanceCMLMolecule(cml, name, state.inchi);
            }
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Related Classes of org.xmlcml.cml.element.CMLMolecule

  • uk.ac.cam.ch.wwmm.oscar3.resolver.NameResolver
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