compar does this providing the sequence is the same.
amd you can get lsqkab to give you the full list but only i think for
those atoms you overlap..
eleanor
On 12/29/2010 01:52 PM, Michael Swan wrote:
Dear all,
I am having a bit of trouble finding a program to do an rmsd calculation and
give me the differences between all the atoms in the structures.
I have two structures which are identical in the sense that one is the apo
protein and one is the bound structure. I would like to superimpose them
using only one domain then output the rmsd values for all the atoms or at
least individual residues. The structures are not completely identical as
some extra residues were visible in the bound structure so I hope there is a
program that can ignore those differences.
If anyone knows of a program that will do this calculation I would much
appreciate hearing about it. There seem to be many programs that will give
an average rmsd over the whole structure or just the region used for
alignment but I haven't found anything that will give me distances between
atoms or residues that were not used in the alignment.
Thanks,
Mike.
