I wrote a little utility called pdb_merge that is in CCP4. With the
"nomerge" option, it checks for duplicate chain IDs, and renames chains
if necessary.
The main limitation is that it can only merge 2 files, but you should be
able to script a loop to call it multiple times.
What happens if you have 10 chains in the asu and a cubic spacegroup, I
am not sure ...
HTH
Martyn
On Fri, 2011-04-08 at 16:47 +0530, krishan wrote:
> Dear CCP4BB members,
> We are using a script written in python to generate symmetry mates
> for a given pdb file using PYMOL. After generating symmetry mates we
> want to combine all the symmetry molecules in a single PDB file with
> all the chains having unique chain IDs. Since all the symmetry mates
> have same chain ID's I was wondering if some one knows a script that
> can give unique chain ID for each symmetry mate. We are interested in
> script because that dataset that we are handling is large.
> I thank you all in advance for your help.
> Best,
>
> Krishan
--
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* Dr. Martyn Winn *
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* STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K. *
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