I would use in coot: calculate - model/fit/refine - add alt conf. This
should generate a correctly defined alternative water.
Good luck!
Herman
________________________________
From: CCP4 bulletin board [mailto:[email protected]] On
Behalf Of arka chakraborty
Sent: Wednesday, March 07, 2012 2:21 PM
To: [email protected]
Subject: [ccp4bb] setting occupancy for disordered water
Hi all,
I am having a structure where there is a disordered water .I
have fixed one water into the density, yet there is a positive density
about 1.6 ang away. I want to put in another water and attribute 0.50
occupancy to each of the the waters while attributing them to one water
in reality. I would like to know how to modify the pdb so that
phenix.refine accepts it.
Thanks in advance,
Regards,
ARKO
--
ARKA CHAKRABORTY
CAS in Crystallography and Biophysics
University of Madras
Chennai,India
