http://server.ccl.net/cca/software/UNIX/car-mdf2pdb/name2number.shtml |
CCL name2number.awk | ||||
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#!/usr/local/bin/nawk -f # substitute numbers for atom names # read carfile and generate associative array to map atom names to numbers function atom_number_array(carfile,array, nr,offset){ # read carfile nr = 0 offset = 1 while ( getline |
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