XDRAW available for SGI
XDRAW 1.1 IS NOW AVAILABLE FOR THE SGI
Professor Douglas A. Smith and the University of Toledo
announce the availability of their
Software Tools for Molecular Modeling
FITIT version 3.0 is a question and answer driven file format
conversion program. It will read output files from MacroModel
(formatted, unformatted, and DUMPCT), MM2, MM3, MOPAC and AMPAC
and convert them to input files for MacroModel, MM2, MM3, MOPAC,
AMPAC, XDRAW and ARKMOD. Handling of multiple structures in a
single file is supported, and users may edit atom types for one
or all structures on the fly. Interfaces to Gaussian 88/9x are
under development and should be available fourth quarter of 1991.
FITIT is written in machine independent FORTRAN 77 and has been
successfully run under VMS, UNIX (several variants), and DOS.
FITIT is available for a per machine price of $250, or site
licensed for only $800.
XDRAW version 1.1 is an X11 compatible version of the popular
DRAW program, written by Maj. D. Storch of the USAF. Originally
designed for use with MOPAC, the combination of XDRAW and FITIT
will now let you visualize, analyze, and plot input and output
from a variety of molecular modeling packages. XDRAW runs on any
UNIX or VMS machine, and can be displayed across a network to any
X-windowing environment. The X11 graphics have been tested on
DECstations and VAXstations under DECWindows, SUN, HP series 700,
Apollo DN series, Stardent and now on all SGI workstations (users
eithre need the Xwindow Developer's Kit from SGI in order to
compile XDRAW on their machine or can obtain an executable from
Dr. Smith). XDRAW is also Motif compatible. The code is machine
independent FORTRAN 77 and C. XDRAW is available for a per
machine price of $100, or site licensed for only $300.
BOLTZMAN version 1.0 is designed to calculate ratios of
components and DDG values of a collection of molecules. The
program will accept input in the form of answers to a series of
questions from the screen or an input file, and includes both
novice and expert modes. BOLTZMAN is written in machine
independent FORTRAN 77, and has been run under VMS, UNIX (several
variants), and DOS. BOLTZMAN is available for a site licensed
price of only $25.
!SPECIAL DEAL! Site license all three programs for only $975.
For more information or to order, contact:
Professor Douglas A. Smith
Department of Chemistry
The University of Toledo
Toledo, OH 43606-3390
voice 419-537-2116
fax 419-537-4033
email fax0236-0at0-uoft02.utoledo.edu
Prices include the media, documentation, shipping, and source
code. In addition, we will provide free updates of the codes for
six months from date of purchase. Simply return the media to us
postpaid for a copy of the latest versions.