#!/usr/local/bin/perl -w # this is a single-use filter script to move # residues 111-119 #to get this piece out of the way so Helix-6 can be rotated a bit # move-try42.perl < decoys/T0129.try41-opt.pdb > decoys/T0129-try41-opt-moved.pdb while($line=) { if ($line!~/ATOM/) { print $line; next; } $resnum=substr($line,22,4); if ($resnum <111) { print $line; next; } if ($resnum<120) { $x= substr($line,30,8); $y= substr($line,38,8); $z= substr($line,46,8); printf "%s%8.3f%8.3f%8.3f%s", substr($line,0,30), $x-5, $y-5, $z-8, substr($line,54); } else { print $line; } }