On 08/20/2010 05:50 PM, Charles W. Carter, Jr wrote:
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
Very old Q but PROCHECK does this I think..
Eleanor
