and set the occupancy of that water molecule to 0.50 > On 11 Mar 2019, at 17:17, Phil Jeffrey <pjeff...@princeton.edu> wrote: > > Hello Firdous > > You are seeing two because you are displaying crystallographic symmetry and > you are seeing its symmetry mate. Coot only places one (check the PDB file) > but displays the second generated by symmetry. It pays to place that water > molecule as precisely as possible on the symmetry axis so that refinement > programs will treat this as a special position water and eliminate the extra > one - i.e. make it as close as possible to its symmetry mate. > > Phil Jeffrey > Princeton > > On 3/11/19 12:09 PM, Firdous Tarique wrote: >> Hello everyone >> I am having a difficult time fitting a water molecule which is right at the >> centre of symmetry. Every time I am trying to fit one water molecule it fits >> two because of the symmetry atom is at the same place. What is the best way >> to solve this problem? I am talking about the water molecule where two >> molecules are paced at one place (4th position in the semicircle having both >> pink and purple). >> Thanks >> Firdous >> Screen Shot 2019-03-11 at 12.00.21 PM.png > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
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