Subject: AGOA program

From: Marcelo Zaldini Hernandes <[email-masked]>
Date: Wed, 24 Jan 2001 14:53:53 -0200

Dear CCLers and friends,

    I would like to announce the version 1.0 of AGOA program
(http://www.dqf.ufpe.br/~zaldini/agoa.html), that can be used to
vizualize ESP surfaces (agoa_esp) and to explore the Potential Energy
Surface for generating hydrated structures of a given substrate (agoa).
    For ESP vizualization, agoa_esp is already available and is used
with the RasMol program and the Gaussian9x "cube" file, generating
images of the full 3D-grid around the substrate, in contrast to the
traditional vizualization programs/methods, that usually uses isosurface
procedures.
    The agoa version, used to generate the hydrated structures, is being
finished and should be available in a few days, together with a
manuscript that is in preparation.
    The agoa_esp program, built for several machines/systems, will be
provided with the instructions and some examples upon request by e-mail
([email-masked]).
    In Portuguese, "AGOA" means "to water".
    Thank you for your attention.
    Happy hydrations :-)

--
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Marcelo Zaldini Hernandes

PhD Student
Depart. de Quimica Fundamental
CCEN - UFPE - Recife - Pernambuco
Fone: 081 - 3271-8440 - ramal 45 ou 32
Fax: 081 - 3271-8442

http://www.dqf.ufpe.br/~zaldini
E-mail: [email-masked]
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