Re: [COOT] coot - save coordinates

2013-10-08 Thread William G. Scott
I am clueless on this one, so I'll post it to the coot mailing list in case anyone else has seen this …. On Oct 8, 2013, at 9:53 PM, Felix Frolow wrote: Hi Bill, I regularly update coot using FINK ( from your repository) Since one of the recent versions of coot ( difficult to say from when,

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

2010-06-14 Thread Dirk Kostrewa
Dear Paul, Am 11.06.10 16:58, schrieb Paul Emsley: snip My suggestion is: offer both a Save Coordinates, with only an initial query for the output file name, and a Save Coordinates as ... option. That would offer the user to either quickly overwrite the initial output file or save the

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

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

[COOT] Save Coordinates (as) ...

2010-06-09 Thread Dirk Kostrewa
Dear Paul, 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 before the .pdb, which I find quite

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

2010-06-09 Thread Tim Gruene
Grand idea, I support it! On Wed, Jun 09, 2010 at 11:07:16AM +0200, Dirk Kostrewa wrote: Dear Paul, 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