Hi Firdous, as many of us have CCP4 and phenix installed, there would be
a program in phenix which does this. The name: Sort heteroatom groups.
Br, Georg.
Am 13.08.2025 um 13:21 schrieb Firdous Tarique:
Hello everyone
I have a situation where the water molecules in my protein chains are
not named correctly. For example I want water molecules in protein
Chain A to be named as Chain A but few water molecules are named as
chain B. As the water numbers in hundreds it is difficult to do it
manually. Is there a way where water molecules near chain A (let's say
within 3.5 A) are automatically renamed as chain A ?
Any help is appreciated
Best
Firdous
------------------------------------------------------------------------
To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1
<https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1>
########################################################################
To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1
This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list
hosted by www.jiscmail.ac.uk, terms & conditions are available at
https://www.jiscmail.ac.uk/policyandsecurity/
