| http://server.ccl.net/pub/chemistry/software/UNIX/car-mdf2pdb/name2number.shtml |
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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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