[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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