Re: [COOT] Save Coordinates (as) ...

2010-06-11 Thread Miguel Ortiz Lombardia
I've been a fan of this idea since coot 0.0.33 or so :-) Great to see others think it would be useful. Another possibility would be a preference setting to always make a backup of the original coordinates file. Kind of what emacs does. Best, Miguel Le 9 juin 2010 à 11:47, Tim Gruene a écrit

[COOT] how to invoke atom picking

2010-06-11 Thread Ed Pozharski
On Wed, 2010-06-09 at 16:44 +0100, Judit Debreczeni wrote: Not sure what you'd like to achieve, but perhaps the map_molecule_chooser_gui is what you are looking for. Thanks - exactly what I was looking for (and molecule_chooser_gui too!). Is there some to invoke an atom-picking event from

Re: [COOT] Save Coordinates (as) ...

2010-06-11 Thread Paul Emsley
Dear Dirk, Miguel, Tim, Dirk Kostrewa wrote: another point for your wish list: usually, I save coordinates quite frequently during a model building session, giving always the same name for that session like myproject-coot6.pdb. Coot always asks me to select a file name and appends -coot-0

Re: [COOT] Save Coordinates (as) ...

2010-06-11 Thread Ed Pozharski
I think a preference setting that specifies if you do or do not add -coot-# to the file name is the best solution. Or even better - let user define the format (with original_name-coot-%d.pdb % next_version as default). Theoretically coot now does it in the safest way, as you are not at risk of

Re: [COOT] Save Coordinates (as) ...

2010-06-11 Thread Tim Gruene
People should include a number of refinement round included in their files then coot could simply increase that number when it encounters it. Or/And use shelxl for refinement - when you load a .res-file, coot automatically suggests to save the coordinates as .ins-file. I like that a lot (while I