[phenixbb] ready set and H/D addition on waters

Nigel Moriarty nwmoriarty at lbl.gov
Mon Nov 24 10:00:57 PST 2014


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

On Sat, Nov 22, 2014 at 12:30 PM, Maxime Cuypers <maximecuypers at gmail.com>

> hello,
> 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?
> cheerios,
> --
> Dr. Maxime Cuypers
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
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