Re: [AMBER] Empirical force fields: release new version of RED Server Dev/PyRED

From: Marek Maly <marek.maly.ujep.cz>
Date: Mon, 05 May 2014 15:22:56 +0200

Dear Francois,

it seems that in your R.E.D. Download section there is still available
only "RED-III.52-Tools" (from September/October 2012) represented mainly by
"RED-vIII.52.pl" script.

Is there any hope that the newest version of the tools represented
by "PyRED" Python program or at least RED-IV tools will be ever available
for download and for custom usage on our own hardware ? Or the RED-III.52
tools
was the last one and who wants to use the more actual tools is forced to
use it
only through your web interface/your servers ?

   Thanks,

      Best wishes,

          Marek Maly





Dne Mon, 05 May 2014 13:00:11 +0200 FyD <fyd.q4md-forcefieldtools.org>
napsal/-a:

> Dear Amber Users,
>
> In the context of a joined French-USA research project between the
> Universite de Picardie - Jules Verne and the Sanford|Burnham Medical
> Research Institute I am pleased to announce the release of the May
> 2014 version of the RED Python program, or PyRED, interfaced by R.E.D.
> Server Development at q4md-forcefieldtools.org:
>
> http://q4md-forcefieldtools.org/REDServer-Development
>
> R.E.D. Server Development is a service designed to generate force
> field parameters and build force field libraries for new
> molecules/molecular fragments. This Internet site provides the
> software and hardware resources required for the generation of AMBER
> and GLYCAM type empirical force fields, that can be used by
> computational biologists involved in force field based structural
> studies. CHARMM and OPLS force fields can also be targeted by applying
> user-defined options.
>
> All researchers from the academic world and from private laboratories
> can use R.E.D. Server Development, and registration to use R.E.D.
> Server Development is not mandatory.
>
> PyRED was presented at the 247th ACS National Meeting in Dallas (TX,
> USA) last March 2014:
> http://abstracts.acs.org//chem/247nm/program/view.php?pub_num=277&par=COMP
>
> New documentation is available at:
> http://q4md-forcefieldtools.org/REDServer-Development/Documentation/
> Latest news:
> http://q4md-forcefieldtools.org/REDServer-Development/news.php
> Frequently asked questions:
> http://q4md-forcefieldtools.org/REDServer-Development/faq.php
> A new tutorial is now available:
> http://q4md-forcefieldtools.org/Tutorial/
> http://q4md-forcefieldtools.org/Tutorial/Tutorial-4.php
>
> Users of the R.E.D. III.x tools and of R.E.D. Server (interface of the
> Ante_RED 2.0 and R.E.D. IV program) are strongly encouraged to switch
> to R.E.D. Server Development/PyRED.
>
> Funding of this project is provided by the Conseil Regional de
> Picardie and the European Regional Development Fund.
>
> regards, Francois
>
> F.-Y. Dupradeau
> ---
> http://q4md-forcefieldtools.org/FyD/
>
>
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>


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Received on Mon May 05 2014 - 07:00:03 PDT
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