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

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