[phenixbb] renaming an holo PDB after the alo one

Francois Berenger berenger at riken.jp
Mon Sep 26 17:44:50 PDT 2011


I have one bound complexe (a ligand + a protein in holo conformation).
I also have the apo structure for a very similar protein.

Is there a tool to create a new PDB, whose coordinates are
taken from the holo structure but residue names and numbers
are taken from the alo structure (by looking at the corresponding
residues in the output of a sequence alignment program)?

I thought about doing a script using clustalw for the alignment
part, but the task seems not trivial.

Thanks a lot,

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