[ghemical-devel] Fwd: CCL:Announcement: new FSAtom work group on open standards for Molecular Mechanics

[Geoff Hutchison]

In case anyone hasn't heard about this. Obviously it directly relates  
to Ghemical in terms of file formats for structure and trajectory as  
well as the potential for some unified formats for expressing force  
fields.

-Geoff

--
-Geoff Hutchison		<hutchisn@chem.northwestern.edu>
Ratner/Marks Groups	(847) 491-3295
Northwestern Chemistry	http://www.chem.northwestern.edu/

Begin forwarded message:

> From: Konrad Hinsen <hinsen@cnrs-orleans.fr>
> Date: Thu Oct 23, 2003  7:59:09  AM America/Chicago
> To: "chemistry@ccl.net" <chemistry@ccl.net>
> Subject: CCL:Announcement: new FSAtom work group on open standards for  
> Molecular Mechanics
>
> The FSatom Work Group on "Open Standards for Molecular Mechanics" aims  
> to
> bring open standards to the molecular simulation community, in order to
> facilitate the exchange of information, to eliminate duplicate work.  
> and to
> aid in the comparison of results between different molecular simulation
> codes.
>
> The initial aim of the group is to develop open standards for  
> describing
> structural information about molecular systems and for storing  
> simulated
> trajectories. Such standardized file formats would facilitate the  
> combined
> use of different simulation and analysis codes as well as the creation  
> of
> archives that are useful to the whole community. Additionally, it would
> eliminate the need for the time- consuming and error-prone process of  
> file
> conversion.
>
> Standards are useful only if they are accepted by a sufficiently large  
> number
> of programs. The work group currently includes developers working on  
> the
> simulation packages AMBER, CHARMM, GROMACS, MMTK, and TINKER.  
> Sufficient
> support of the newly developed standards can therefore be expected.
>
> The work group is open to all interested scientists and program  
> developers.
> For more information, see
>
> http://dirac.cnrs-orleans.fr/fsatom_wiki/ 
> MolecularMechanicsOpenStandards
>
>
> About FSAtom:
>
> The Free Software project for Atomic-scale Simulation (FSAtom) has the  
> aim to
> spread the use of the ``Free Software'' concept in the community of
> Atomic-scale Simulation software developers, to improve the awareness  
> of
> modern software engineering concepts, and to constitute the natural  
> place for
> interactions between different groups of developers in this field. For  
> more
> information, see www.fsatom.org.
> --
> ----------------------------------------------------------------------- 
> --------
> Konrad Hinsen                            | E-Mail:  
> hinsen@cnrs-orleans.fr
> Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-2.38.25.56.24
> Rue Charles Sadron                       | Fax:  +33-2.38.63.15.17
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