27 Apr
2010
27 Apr
'10
11:28 p.m.
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. Pavel.