[phenixbb] ready set and H/D addition on waters
pafonine at lbl.gov
Mon Nov 24 21:05:14 PST 2014
Thanks, setting User level to advanced helped!
On 11/24/14 9:01 PM, Nigel Moriarty wrote:
> You need to set your User Level to advanced.
> 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.
> On 11/24/14 10:00 AM, Nigel Moriarty wrote:
>> 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 <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
>> On Sat, Nov 22, 2014 at 12:30 PM, Maxime Cuypers
>> <maximecuypers at gmail.com <mailto:maximecuypers at gmail.com>> wrote:
>> 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?
>> Dr. Maxime Cuypers
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the phenixbb