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

[Nigel Moriarty]

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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

On Mon, Nov 24, 2014 at 8:58 PM, Pavel Afonine <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     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>
> 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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