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 was kidding about the generalisation to use shelxl for refinement). Tim On Fri, Jun 11, 2010 at 04:58:30PM +0200, Paul Emsley wrote: > 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" before the ".pdb", which I >> find quite tedious. > > There are 3 potentially tedious things going on here: > > (1) coot not overwriting the input file > > (2) coot choosing a new file-name for saving that you don't like > > (3) coot giving you a dialog > > > AFAICS, Coot will never overwrite the input file (without specific user > intervention to do so) - not while I have a say about it, that is. > > I am prepared to compromise about (2), giving you a temporary file name > that gets overwritten (which is of course, not the input file), > "xxx-coot-tmp-0.pdb", perhaps. > > As to (3), that is already done away with, using quick-save-as (Ctrl-S). > This is, I think the 3rd case of implementing a feature that I doubted > and resisted in the face of community pressure, but then having > implemented, went on to enjoy myself - I use it many times a day. > > And note that (unless you tell it otherwise) coot does a back-up of the > model before every modification - that is what fills the coot-backup > directory. > >> 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 coordinates to a new output file name. >> > > I don't entirely agree with that. > > Or perhaps I do as long as the initial output file name is not the same > as the input file name. > > Paul. -- -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
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