I've been invited to give a talk about cclib and GaussSum among other
topics at the meeting described below, so if you can make it be sure
to say hello.
Noel
---------- Forwarded message ----------
From: Jens Thomas <j.m...@dl...>
Date: 26 Feb 2008 11:09
Subject: CCP1 Meeting - Molecular Modelling: Tools, GUIs and Visualisation
To: Openbabel-discuss List <ope...@li...>
Molecular Modelling: Tools, GUIs and Visualisation
11th - 13th March 2008
This is to announce a CCP1 meeting looking at graphical interfaces,
visualisation and tools for molecular modelling in general, but with the
focus towards electronic structure.
There are a large number of graphical interfaces and associated tools
for working with electronic structure and molecular mechanics/dynamics
codes in use in the computational chemistry community today. Many of
these tools do similar jobs, but all have their own specialities,
strengths and weaknesses.
The aim of this meeting is to bring together the developers and users of
these tools to:
- raise awareness of the existing software tools and capabilities.
- allow users to give the developers feedback on what is needed and
which areas are not being sufficiently covered.
- explore novel ways of visualising molecular data and other tasks.
- provide an opportunity to discuss collaborations.
We already have speakers confirmed from projects including OpenBabel,
Avogadro, Molekel, Molpro, cclib, GaussSum, The CCP1GUI, GAMESS, and
GAMESS-UK.
The meeting will be held at the Holiday Inn in Runcorn, Cheshire, from
11th-13th March (starting after lunch on the 11th and running through to
lunch on the 13th). The afternoon of the 13th will be reserved for
developers to run tutorials/practicals at Daresbury Laboratory.
We still have some slots available for speakers, so if you are a code
developer or user, and would be interested in speaking, then please
contact: j.m...@dl...
For registration information, please visit the meeting webpage at:
http://www.ccp1.ac.uk/chemtoolsmeet
We look forward to seeing you in March!
--
===================================================================
Jens Thomas, email: j.m...@dl...
STFC Daresbury Lab, tel: +44-1925-603849
Warrington, fax: +44-1925-603634
WA4 4AD, UK. http: http://www.cse.scitech.ac.uk
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