Re: [ccp4bb] problem with the symmetry water molecule

2019-03-11 Thread Eleanor Dodson
You need to set the occupancy to 0.5 though.. Eleanor On Mon, 11 Mar 2019 at 16:17, Phil Jeffrey 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 th

Re: [ccp4bb] problem with the symmetry water molecule

2019-03-11 Thread Mark J van Raaij
and set the occupancy of that water molecule to 0.50 > On 11 Mar 2019, at 17:17, Phil Jeffrey 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

Re: [ccp4bb] problem with the symmetry water molecule

2019-03-11 Thread Phil Jeffrey
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 a