I have implemented the ideas described in task #3838
(http://gna.org/task/?3838) and discussed at
https://mail.gna.org/public/relax-users/2006-10/msg00002.html
(Message-id: <7f080ed10610032153o4571935bq138d2739f55ca3bd@xxxxxxxxxxxxxx>).
It is now possible to select the atoms from the PDB file individually
for each residue or for each residue type.
These changes have been made to the 1.3 repository line. However I
haven't tested the modifications to see if they work properly. Alex,
would you be able to test the 1.3 line and report any bugs/typos you
encounter. As the changes weren't too disruptive it should work
straight away. If you do find any bugs, would you like to have a go
at chasing them down and fixing them (after creating a bug report)?
It's a good way to become familiar with the code and to learn the
styles and conventions used throughout relax. The number of functions
I have modified is quite low so debugging, if necessary, should be
pretty easy.
Edward
On 10/4/06, Edward d Auvergne <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
URL:
<http://gna.org/task/?3838>
Summary: Splitting up and redesigning the 'pdb()' user
function.
Project: relax
Submitted by: bugman
Submitted on: Wednesday 10/04/2006 at 08:32
Should Start On: Wednesday 10/04/2006 at 00:00
Should be Finished on: Saturday 10/14/2006 at 00:00
Category: None
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: bugman
Percent Complete: 0%
Open/Closed: Open
Effort: 0.00
_______________________________________________________
Details:
The idea is to split the 'pdb()' user function back into the two original
user functions 'pdb()' and 'vectors()'. All the details of this task are
described in the post at
https://mail.gna.org/public/relax-users/2006-10/msg00002.html (Message-id:
<7f080ed10610032153o4571935bq138d2739f55ca3bd@xxxxxxxxxxxxxx>).
_______________________________________________________
Reply to this item at:
<http://gna.org/task/?3838>
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Re: [task #3838] Splitting up and redesigning the 'pdb()' user function.