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: bernhard.lohk...@ki.se ----- Original Message ----- From: Christian Roth <christian.r...@bbz.uni-leipzig.de> Date: Tuesday, May 5, 2009 7:05 pm Subject: [COOT] merge water chains To: COOT@JISCMAIL.AC.UK > 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 >
