Chem.defn: Difference between revisions

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Latest revision as of 18:10, 8 October 2012

       This file contains labels and definitions for chemical labeling. Nothing outside of addition to a label needs to be assigned to an atom. A label may have multiple definition lines but the names must match the rules in the chem_match.tbl file.

Sample Entries

           ________________________________________________________
           name hydrophobic
           definition C. [ O. ] [ N . [ 2 O.2 ] [ 2 C. ] ] ( * )
           definition N.pl3 ( 3 C. )
           definition Cl ( C. )
           definition Br ( C. )
           definition I ( C. )
           definition C.3 [ * ]
           ________________________________________________________
           name donor
           definition N. ( H )
           definition N.4 [ * ]
           ________________________________________________________
           name acceptor
           definition O. [ H ] [ N. ] ( * )
           definition O.3 ( 1 * ) [ N. ]
           definition O.co2 ( C.2 ( O.co2 ) )
           definition N. [ H ] [ N. ] [ O . ] [ 3 . ] ( * )
           definition O.2 [ * ]
           ________________________________________________________