Subject: MIPSim release

From: "Barbany, Montse" <[email-masked]>
Date: Wed, 08 Jan 2003 11:16:55 +0100

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*                   MIPSim 2.1 Release
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January 2003 

The Research Group in Biomedical Informatics (GRIB) is proud to announce
the 
release of a new version of MIPSIM. 
MIPSIM is a computational system developed by the GRIB at the 
Institut Municipal d'Investigació Mèdica (IMIM) of Barcelona for 
the automatic exploration of biomolecular similarities on the basis 
of molecular interaction potentials. 

MIPSIM can be used as a standalone program for the automatic exploration

of biomolecular similarities but it is specially powerful when
interfacing 
to other well-known external programs: 

    * The quantum package GAMESS. Current version of MIPSIM has been 
      tested with June 2001 version of GAMESS. Other versions may be 
      compatible with the scripts distributed with MIPSIM with very few 
      changes. 
    * A molecular interaction potential evaluator (GRID). Current
supported 
      version of MIPSIM interfaces with GRID19 (Linux version), or Grid
20 
      (IRIX VERSIONS). 
    * statistical tools for the partial least squares (PLS) calculations

      needed for the derivation of 3D-QSAR models (GOLPE), and 
    * visualization packages (GOPENMOL,INSIGTHII) 

The current is an alpha version and may be bug free. We encourage the 
users to help in the development of more robust and powerful versions 
by reporting bugs and suggesting improvements. 

The program can be accessed at the web address: 

http://www1.imim.es/modeling/mipsim/index.html
<http://www1.imim.es/modeling/mipsim/index.html>  

For further information, please, refer to the above mentioned page or 
e-mail us at [email-masked]. 

Reference: 
MIPSIM: Similarity analysis of Molecular Interaction Potentials 
Miquel de Cáceres, Jordi Villà, Juan J. Lozano and Ferran Sanz, 
Bioinformatics 2000, 16, 568-569 

Montse 

-- 

Montserrat Barbany Puig

Computational Structural Biology Laboratory

Research Group on Biomedical Informatics (GRIB) - IMIM/UPF

Pg.Marítim de la Barceloneta, 37-49; 08003 Barcelona (Spain)

Tel: +34 93 224 0893 // +34 93 224 0875

e-mail: [email-masked]          http://www.imim.es/grib/
<http://www.imim.es/grib/>