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