Chem match.tbl: Difference between revisions

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         This file contains the interaction matrix for which chemical labels can form an interaction in matching. The labels must be identical to labels in chem.defn. The table flag indicates the beginning of the interaction table. Compatible labels are identified with a one, otherwise a zero.
         This file contains the interaction matrix for which chemical labels can form an interaction in matching. The labels must be identical to labels in chem.defn. The table flag indicates the beginning of the interaction table. Compatible labels are identified with a one, otherwise a zero.
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                         1 0 0 1
                         1 0 0 1
                         1 0 1 1 1
                         1 0 1 1 1
[[Category:Formats]]
[[Category:Data]]
[[Category:DOCK]]

Latest revision as of 18:10, 8 October 2012

       This file contains the interaction matrix for which chemical labels can form an interaction in matching. The labels must be identical to labels in chem.defn. The table flag indicates the beginning of the interaction table. Compatible labels are identified with a one, otherwise a zero.

Sample File

                       label null
                       label hydrophobic
                       label donor
                       label acceptor
                       label polar
                       table
                       1
                       1 1
                       1 0 1
                       1 0 0 1
                       1 0 1 1 1