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.
***************************************************
Dr. Bernhard Lohkamp
Assistant Professor
Div. Molecular Structural Biology
Dept. of Medical Biochemistry and Biophysics (MBB)
Karolinska Institutet
S-17177 Stockholm
Sweden
phone: (+46) 08-52487673
fax: (+46) 08-327626
email: [log in to unmask]
----- Original Message -----
From: Christian Roth <[log in to unmask]>
Date: Tuesday, May 5, 2009 7:05 pm
Subject: [COOT] merge water chains
To: [log in to unmask]
> 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.
>
> Christian
> --
> Christian Roth
> Institut für Bioanalytische Chemie
> Biotechnologisch-Biomedizinisches Zentrum
> Fakultät für Chemie und Mineralogie
> Universität Leipzig
> Deutscher Platz 5
> 04103 Leipzig
> Telefon: +49 (0)341 97 31316
> Fax: +49 (0)341 97 31319
>
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