Angel Herraez wrote:
On 7 Sep 2005 at 13:50, Miguel wrote:
I believe that saying 'select 19-17' should be work in the .pdb file where
you manually reversed the residue numbers. (and select 17-19 should not
work in the previous case with the reversed file).
I don't agree; I understand "17-19" means "17, 18 or 19" --and think any casual user would
see it the same way--; you can know scripts and use them on the console without looking at
the innards of the pdb file. Of course, in this approach "select 19-17" doesn't make much
sense -I doubt anybody would use it-, but what happens if the file is unordered (19-18-17),
the user doesn't know it, and tries to select residues 17 through 19? (s)he gets nothing!
In summary, I see that residue numbers are a way to refer to the residues by their identity
(biochemical meaning), not how they are written in the coordinates file.
As they say, my other 2 cents...
I tend to agree with Angel, select shouldn't depend on the order in the
pdb file.
Otherwise, what would happen with a file completely unordered (is it
possible ?) : if you have 17, 20, 19 would 20 be selected by 17-19 ?
Concerning the behaviour with 19-17, I would say it is the same as 17-19.
It may be easier to write scripts
-------------------------------------------------------
SF.Net email is Sponsored by the Better Software Conference & EXPO
September 19-22, 2005 * San Francisco, CA * Development Lifecycle Practices
Agile & Plan-Driven Development * Managing Projects & Teams * Testing & QA
Security * Process Improvement & Measurement * http://www.sqe.com/bsce5sf
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users