#!/bin/tcsh # This is a script to convert the contents of a log file generated by # pre-relaxing the crystal structure of the wild-type species with # the minimize_with_cst application into a set of Calpha distance # restraints for use in the ddg_monomer application. The script reads # from a file and sends its output to standard-out. # # The first argument to this script should be the name of the log file. # Its output should be redirected to text file. # e.g.: # ./convert_to_cst_file.sh cstmin.log > ca_dist_restraints.cst grep ^c-alpha $1 | awk '{print "AtomPair CA "$6" CA "$8" HARMONIC "$10" "$13}'