[phenixbb] Follow up question: Re: B factor for DNA and Protein

Pavel Afonine PAfonine at lbl.gov
Tue Apr 27 16:28:41 PDT 2010

Hi Young-Jin,

> Let me ask a similar but different question.
> I have two molecules (A and B). I was trying to put A molecule with neighbor waters or inside A waters only while excluding B or B molecule neighbored waters: Let me simplify if we can make separate A and B pdb files while have waters only 5A near to A or B molecules?
> I did from Pymol before, but wondering if phenix can do in simpler way.

no easy way exposed to the user-level for doing this in PHENIX. It would 
take me 10 minutes to write a custom Python script that will use CCTBX 
tools for this.


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