[phenixbb] ready set and H/D addition on waters
pafonine at lbl.gov
Mon Nov 24 20:58:39 PST 2014
so... what exactly one needs to click to get H (or D) added to waters? I
just spent 10 minutes trying all permutations and still don't get what
Maxime asked for.
On 11/24/14 10:00 AM, Nigel Moriarty wrote:
> I have attached a screen shot of the neutron refinement options.
> Nigel W. Moriarty
> Building 64R0246B, Physical Biosciences Division
> Lawrence Berkeley National Laboratory
> Berkeley, CA 94720-8235
> Phone : 510-486-5709 Email : NWMoriarty at LBL.gov
> Fax : 510-486-5909 Web : CCI.LBL.gov <http://CCI.LBL.gov>
> On Sat, Nov 22, 2014 at 12:30 PM, Maxime Cuypers
> <maximecuypers at gmail.com <mailto:maximecuypers at gmail.com>> wrote:
> after not using phenix for a while, i just realised the new
> versions do not include the option in ready_set gui to add H or D
> atoms to waters in the pdb models (and only to the waters without
> altering the rest of the model would be nice). of course it can be
> done on the command line but why has it been removed? it is a very
> neutron crystallographer friendly option don t you think?
> Dr. Maxime Cuypers
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