Hi Oliver,

it's not implemented but it's trivial to add. I will do it tomorrow. I would say that this is rather a bug (the fact that "selection" is ignored). So yes I will fix it tomorrow and it will be available in a nightly build then.

Pavel

On 11/12/12 8:17 AM, Nathaniel Echols wrote:
On Mon, Nov 12, 2012 at 5:08 AM, Antony Oliver <[email protected]> wrote:
Apologies if this has been covered before - but can someone point me to a way of renumbering only specific chains (i.e. F, G, H etc).
I have tried using phenix.pdbtools with either selection = "chain F or chain G or chain H" or keep "chain A or chain B or chain C or chain D" - but in both cases phenix renumbers every single residue!

If you don't mind doing it interactively, try this:

phenix.pdb_editor

(also in the GUI, of course)  Still in development, but it's meant to be used for situations like this.  The big drawback of course is that you can't script it.

Otherwise, what you're describing is very easy to code in Python, but it looks like pdbtools is simply not implemented this way.  One of us can change that (and possibly send you a patch, if it doesn't end up being too complex).

-Nat


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