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.
>
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