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I think Ive got a (good ?) solution. In brief,
- run MolRep (insertion codes will be lost in pdb output)
- open MolRep output.pdb AND input.pdb in Coot
- SSM superpose
- save coordinates, output-coot.pdb
- edit headers, copying from input.pdb to output-coot.pdb
It seems to be working....
Thanks for all, Mauricio
Luis Mauricio Trambaioli da Rocha e Lima wrote:
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Hi,
I am trying to proceed with a molecular replacement using an enzime
(aTh, eg 1PPB.pdb) which has many pdb deposited (with different
ligands). But ligands are not the problem at all. The point is that
due to the numbering system, many differents residues have the same
number (ie, 14A, 14B, 14E, and so on).
I can go ok with MolRep, but not with refmac. Ive tryed to renumber
it using pdbset in ccp4, but it did not work (at least with me). Is
there any other solution not so drastic as editing it manually ?
Regards,
Luis Mauricio Lima
