Is there a program that will read in a pdb coordinate file and re-order the side chain atoms in each residue according to a standard order?
I've a program that compares two files for the same structure, but requires that the order of the atoms be the same in both cases. I'm using a variety of files in which the residue atoms are ordered either main chain first or side-chain first. I've not found a suitable program in the CCP4 suite, though one might exist. MOLEMAN2 doesn't seem suitable, either. Thanks, Charlie
