Hi Nigel,

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.

Pavel

On 11/24/14 10:00 AM, Nigel Moriarty wrote:

Maxime

I have attached a screen shot of the neutron refinement options.

Cheers

Nigel

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Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty@LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov

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

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,

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Dr. Maxime Cuypers