You need to set the occupancy to 0.5 though.. Eleanor On Mon, 11 Mar 2019 at 16:17, 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 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
