[phenixbb] PDB Tools and CNS formatted structure factors

Pavel Afonine pafonine at lbl.gov
Wed Sep 22 09:00:35 PDT 2010

  Hi Joseph,

> Is there anyway with the PDB Tools to renumber protein chains? 

Did you mean "renumber residues in protein chains"? Do you want it 
protein-specific (that is say DNA/RNA and other non-protein molecules 
will be ignored)?

Anyway, I just added the simplest version of renumbering residues in 
chains will be available in the next PHENIX version (nightly build):

phenix.pdbtools model.pdb renumber_residues=true

I can add more functionality as needed/requested.

> Also, which module in Phenix is used to read in and convert CNS 
> formatted ascii structure factors to the mtz read by phenix other then 
> using ccp4.

The tool for doing this and more is available from PHENIX GUI and called 
"Reflection file editor".


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