[COOT] AW: [COOT] how to do sphere refinement

2010-01-12 Thread Sara Züger
Hi Bernhard, I could see the key binding in coot under the tab extension/settings/key bindings as a user-defined key binding (button) And when I pressed this button or typed shift+R, there was nothing happening on the screen. But you are right, it didn't work because I just tried the sphere

[COOT] AW: [COOT] how to do sphere refinement

2010-01-11 Thread Sara Züger
refinement would take into account atoms on residues from symmetry-related molecules (perhaps it does already so? I tried a few weeks/months ago...) HTH, Miguel Le 8 janv. 2010 à 17:22, Sara Züger a écrit : Good evening everybody, I wanted to try sphere refinement for the real space refinement

[COOT] how to do sphere refinement

2010-01-08 Thread Sara Züger
Good evening everybody, I wanted to try sphere refinement for the real space refinement of a glycosidic bond, however it did not work out... (Coot 0.6-pre-1/Durham (revision 2264)) That's what I did: I copied this script into a text file: (add-key-binding Refine residues in a sphere R

Re: [COOT] hydrogen restraints

2009-12-10 Thread Sara Züger
Hi Paul, thanks for the prompt answer. I checked the phenix library, and indeed these cif-files contain the new annotation... (/phenix/chemdata...) So, maybe... :) Thanks again and have a nice evening, Sara