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 : [email protected] Fax : 510-486-5909 Web : CCI.LBL.gov http://CCI.LBL.gov

On Sat, Nov 22, 2014 at 12:30 PM, Maxime Cuypers mailto:[email protected]> 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

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 : [email protected] Fax : 510-486-5909 Web : CCI.LBL.gov http://CCI.LBL.gov

On Mon, Nov 24, 2014 at 8:58 PM, Pavel Afonine mailto:[email protected]> 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 : [email protected] mailto:[email protected] 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 mailto:[email protected]> 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