We now use COOT routinely for this.
Eleanor
Vaheh Oganesyan wrote:
Dear crystallographers,
Water picking through peakmax-watpeak was working quite well in the
past. Recently I started to have problems with placement of new water
molecules in the density of the symmetry related protein atoms. Input
card "SYMM" in the script as well as the CRYST1 card in the pdb file
are present and understood according to log file.
CCP4 version is 4.2.2. I guess this procedure is not used routinely
now since it is not in the GUI version. Is there another way of
picking water molecules except ARP/wARP?
Thanks in advance.
-Vaheh
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