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

Pavel Afonine pafonine at lbl.gov
Mon Nov 24 21:05:14 PST 2014


Thanks, setting User level to advanced helped!
Pavel

On 11/24/14 9:01 PM, Nigel Moriarty wrote:
> You need to set your User Level to advanced.
>
> Cheers
>
> Nigel
>
> ---
> 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 Mon, Nov 24, 2014 at 8:58 PM, Pavel Afonine <pafonine at lbl.gov 
> <mailto:pafonine at lbl.gov>> wrote:
>
>     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
>>
>>     ---
>>     Nigel W. Moriarty
>>     Building 64R0246B, Physical Biosciences Division
>>     Lawrence Berkeley National Laboratory
>>     Berkeley, CA 94720-8235
>>     Phone : 510-486-5709 <tel:510-486-5709>    Email :
>>     NWMoriarty at LBL.gov <mailto:NWMoriarty at LBL.gov>
>>     Fax   : 510-486-5909 <tel: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:
>>
>>         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
>>
>
>

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