DEF mnmacpro.ncl.ac.uk martin 0.0.4 acedrgNew 11:06 21/Nov/14 acedrgNew CDictDataFile True CString True NOMATCH,MONLIBCODE,LOCALDICT,ALLMONLIB nothing,a specific 3 letter code,user dictionary,all monomers NOMATCH Atom match option CString True MOL,SMILES,SMILESFILE MOL Input mol file or SMILES string CString 3 3 DRG Three letter code for new molecule CString 3 Three letter code to match atom names with CMDLMolDataFile True True True True CDataFile True True True True CInt 500 CString CDictDataFile True CDictDataFile True CPdbDataFile True CPdbDataFile True CMDLMolDataFile True