Re: [COOT] Coot 0.6.0 and sequence view

2010-05-17 Thread Paul Emsley

Paul Emsley wrote:

Stefan Becker wrote:
  
recently I installed Coot 0.6.0 and had so far no problems using it. 
Now I wanted to use it combined with shelxl refinement but encounter 
the problem that the Sequence view window in the Coot 0.6.0 version 
doesn´t present the chains as in earlier versions. I must number 
chains in Coot e.g. 1001, 2001, 3001 etc. for creating the 
shelxl .ins file. Now the sequence view in the new Coot version 
positions the chains along a number line and this line stops after 
3245, so that I cannot see e.g. the glycerols that are in the 3000 
range and the waters that are in the 4000 range. With the older Coot 
versions this was not an issue. There all chains were listed in rows 
below each other and there was no number line.



Confirmed - even in the latest 0.6.2 pre.
  


Stefan and others,

This was due to a limitation - perhaps in X11, perhaps in the canvas 
widget, that allowed the maximum size of the canvas to be 2^16 pixels.  
Given that there are 8+2 pixels per letter and allowing for a bit of 
decoration, that implies a  maximum residue number of  3250 or so in the 
new-style sequence viewer.


I have reworked the logic of menu item select so that now for large 
SHELX molecules you get the old-style (without axes) sequence view.


Thanks,

Paul.


Re: [COOT] Coot 0.6.0 and sequence view

2010-05-14 Thread Paul Emsley

Stefan Becker wrote:


recently I installed Coot 0.6.0 and had so far no problems using it. 
Now I wanted to use it combined with shelxl refinement but encounter 
the problem that the Sequence view window in the Coot 0.6.0 version 
doesn´t present the chains as in earlier versions. I must number 
chains in Coot e.g. 1001, 2001, 3001 etc. for creating the 
shelxl .ins file. Now the sequence view in the new Coot version 
positions the chains along a number line and this line stops after 
3245, so that I cannot see e.g. the glycerols that are in the 3000 
range and the waters that are in the 4000 range. With the older Coot 
versions this was not an issue. There all chains were listed in rows 
below each other and there was no number line.


Confirmed - even in the latest 0.6.2 pre.

This needs to be fixed.

Thanks,

Paul.


[COOT] Coot 0.6.0 and sequence view

2010-05-11 Thread Stefan Becker

Dear all,

recently I installed Coot 0.6.0 and had so far no problems using it.  
Now I wanted to use it combined with shelxl refinement but encounter  
the problem that the Sequence view window in the Coot 0.6.0 version  
doesn´t present the chains as in earlier versions. I must number  
chains in Coot e.g. 1001, 2001, 3001 etc. for creating  
the shelxl .ins file. Now the sequence view in the new Coot version  
positions the chains along a number line and this line stops after  
3245, so that I cannot see e.g. the glycerols that are in the 3000  
range and the waters that are in the 4000 range. With the older Coot  
versions this was not an issue. There all chains were listed in rows  
below each other and there was no number line.


Is there maybe a bugfix for the 0.6.0 version?

Best wishes,

Stefan Becker

Dr. Stefan Becker
Max Planck Institute for Biophysical Chemistry
Dept. 10300
Am Fassberg 11
37077 Goettingen
Germany

Phone: +49 551 201 
Fax: +49 551 201 2202
s...@nmr.mpibpc.mpg.de