> From: Christian Roth <christian.r...@bbz.uni-leipzig.de>
>
>> Hi all,
>>
>> I am not sure but If I remember correctly Bernhard mentioned on the
>> last CCP4
>> study weekend in Nottingham that Coot is able to merge the
>> different water
>> chains, generated through repeated refinement runs, in one. If this
>> function
>> exist, how can I use it?
>>
>> Thanks in advance for your help.
Bernhard Lohkamp wrote:
Since I supposedly mentioned this (and I have made a script)...
there is a python function to do so:
use
merge_solvent_chains(imol)
or
merge_water_chains(imol)
alternatively you have to do it by hand, i.e. using Calculate->Change
Chain ID (use residue range).
B
P.S. no corresponding scheme function there yet.
As of revision 1980, there is a scheme version. Both this and the
python version renumber the waters as they merge them.
Paul.
