Resp Esp charge Derive (RED v-1.0) release

Dear All,
 I am pleased to announce the release of program RED version 1.0.
 (http://www.u-picardie.fr/labo/lbpd/RED/)
 R.E.D. (Resp Esp charge Derive) calculate automatically 'RESP' and 'ESP' charges
 starting
 > from an un-optimized PDB structure. R.E.D. sequentially executes (i) either
 program
 "GAMESS" or program "Gaussian" to minimize the studied
 structure and to compute the
 corresponding Molecular Electrostatic Potential, and (ii) program
 "RESP" to fit the
 atom-centered charges to the grid previously determined. Format conversions
 needed during
 the procedure and "GAMESS", "Gaussian" and "RESP"
 inputs are automatically generated.
 Moreover, a new RESP fitting procedure is proposed allowing to get highly
 reproducible 'RESP'
 and 'ESP' charges whatever the QM software is and whatever the starting
 Cartesian
 coordinates are. R.E.D. makes the development of the 'RESP' and 'ESP' charges a
 straightforward, simple and highly reliable procedure. A graphical user-friendly
 interface, X
 R.E.D., has been also developed to execute R.E.D. and modify R.E.D. variables.
 R.E.D. and X R.E.D. use is described in a downloadable manual. Program R.E.D.
 has been
 written with the "Perl" programming language and program X R.E.D. with
 the "tcl/tk"
 programming language, making R.E.D. and X R.E.D. highly flexible and portable.
 These two
 programs have been tested on PC-LINUX and SGI-IRIX workstations and should work
 on other
 UNIX platforms.
 R.E.D. and X R.E.D. are "free" (i.e. provided at no cost) for all
 academic users after signing a
 license.
 Best regards, Francois
 F.-Y. Dupradeau
  --
 The Scripps Research Institute, San Diego, CA
 Faculte de Pharmacie, UPJV, Amiens, France
  --
 http://www.u-picardie.fr/labo/lbpd/fyd.htm