[Fwd: Re: CCPN data model.] -- December 03, 2007


--
-------------------------------------------------------------------
Dr Gary Thompson
Astbury Centre for Structural Molecular Biology,
University of Leeds, Astbury Building,
Leeds, LS2 9JT, West-Yorkshire, UK             Tel. +44-113-3433024
email: garyt@xxxxxxxxxxxxxxx                   Fax  +44-113-2331407
-------------------------------------------------------------------

--- Begin Message ---

To: "Gary Thompson" <garyt@xxxxxxxxxxxxxxx>
Date: Mon, 3 Dec 2007 12:09:44 +0100
Dkim-signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=gmail.com; s=gamma; h=domainkey-signature:received:received:message-id:date:from:sender:to:subject:in-reply-to:mime-version:content-type:content-transfer-encoding:content-disposition:references:x-google-sender-auth; bh=BOkQLuP74tMLBr8+qDF5KPzF4XNedowH1gHZkPIV
Message-id: <7f080ed10712030309w7c75a5bdq1163838fd9bc4fcc@mail.gmail.com>
References: <7f080ed10711300248p60f1b4d5h723bb91278f79e0d@xxxxxxxxxxxxxx> <4753D991.5010708@xxxxxxxxxxxxxxx>

Hi,

Sorry, the message missed the list again.

Bye,

Edward



On Dec 3, 2007 11:25 AM, Gary Thompson <garyt@xxxxxxxxxxxxxxx> wrote:


Edward d'Auvergne wrote:

On Nov 30, 2007 10:53 AM, Gary Thompson <garyt@xxxxxxxxxxxxxxx> wrote:

Edward d'Auvergne wrote:


[snip]

So my proposal is as follows.  We migrate all of relax to
numpy 1.0.4 and higher as the linear algebra code, from my limited
testing, now appears to work.  Numeric is completely removed from the
picture.  Then we make ScientificPython an option and allow other PDB
readers into relax, again as options.  The user function
structure.read_pdb(), which will have the PDB reader as a function
argument, will then throw a RelaxError if the package is not
installed.  And finally, the minimisation code should not be migrated
to numpy because of the new project https://gna.org/projects/minfx/.
Hence the minimise/ directory will soon be removed from the 1.3 line.
Does anyone see any problems with these ideas?

nope no probs as far as I can see

on an aside should we start supporting the ccpn datamodel?


Support of the CCPN data model (http://www.ccpn.ac.uk/ccpn/data-model)
can of course be added to relax, and would be a welcome addition.
Well for the 1.3 line anyway.  Can you envisage a practical use for
this?  Is there a specific application?  Do you mean for the structure
reader?  Or for the spectral side of things?

both... It should be possible to set things up so you extract relaxation
parameters from the datamodel and return the results back to the
datamodel...

regards
gary

Cheers,

Edward

_______________________________________________
relax (http://nmr-relax.com)

This is the relax-devel mailing list
relax-devel@xxxxxxx

To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel

.



--
-------------------------------------------------------------------
Dr Gary Thompson
Astbury Centre for Structural Molecular Biology,
University of Leeds, Astbury Building,
Leeds, LS2 9JT, West-Yorkshire, UK             Tel. +44-113-3433024
email: garyt@xxxxxxxxxxxxxxx                   Fax  +44-113-2331407
-------------------------------------------------------------------

--- End Message ---

[Fwd: Re: CCPN data model.]

Header

Content

Related Messages