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
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