From owner-chemistry@ccl.net Mon May 5 11:11:00 2014 From: "FyD fyd()q4md-forcefieldtools.org" To: CCL Subject: CCL: Empirical force fields: release new version of RED Server Dev/PyRED Message-Id: <-50030-140505070408-23198-mvqMLjMh3OyXTz5eojmBRg]^[server.ccl.net> X-Original-From: FyD Content-Disposition: inline Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; DelSp="Yes"; format="flowed" Date: Mon, 05 May 2014 13:03:50 +0200 MIME-Version: 1.0 Sent to CCL by: FyD [fyd. .. .q4md-forcefieldtools.org] Dear All, 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/