CCL: SCIGRESS - Computational chemistry software for experimentalists and
teaching
- From: Wojtek Płonka <w.plonka : fqs.pl>
- Subject: CCL: SCIGRESS - Computational chemistry software for
experimentalists and teaching
- Date: Thu, 19 Sep 2013 14:02:32 +0000
Sent to CCL by: =?iso-8859-2?Q?Wojtek_P=B3onka?= [w.plonka^fqs.pl]
Dear All,
Let me have the pleasure to announce that new version of SCIGRESS has just been
released.
SCIGRESS is molecular design and modeling software designed with experimental
chemists in mind.
A state-of-the-art molecular builder and visualizer enables the researcher to
build novel structures using a multi-function tool palette.
Calculations of various chemical and physical properties are possible, as well
as reaction modeling.
SCIGRESS has the unique ability to apply a wide range of computational models,
from molecular mechanics through quantum electronic structure techniques to all
types of molecular systems, from organic molecules, to inorganics, polymers,
materials systems (metals, oxides, ceramics, semiconductors), and whole
proteins, including quantum docking for drug design.
Moreover, SCIGRESS seamlessly integrates with GAMESS US and Amsterdam Density
Functional software, allowing you to run ab initio and DFT calculations directly
from SCIGRESS's GUI.
SCIGRESS is a successor of Scigress Explorer (CAChe) and Materials Explorer and
integrates both programs into one powerful suite.
SCIGRESS continues CAChe's legacy of user friendly molecular modeling package
with many improvements, including even more intuitive GUI, property rather than
computational method oriented and higher quality graphics.
Whether someone teaches computational chemistry, uses computational chemistry
for research purposes, or has no experience with computational chemistry at all,
SCIGRESS will save time and efforts.
For more information please have a look at:
http://www.scigress.com/
It might be of interest for you to have a look at the e-book "Teaching with
SCIGRESS" which includes a set of exercises that serve as an introduction
to applications of computational chemistry for students:
www.fqs.pl/download/Scigress/Teaching_with_SCIGRESS.zip
Kindest regards,
--
Wojciech Plonka
Senior Scientist, Computational Chemistry and Life Science Group FQS Poland Sp.
z o.o. (Fujitsu Group), ul. Parkowa 11, 30-538 Krakow, Poland
Phone: (+48) 12 429 4345 Mobile: (+48) 666 010 306 Fax: (+48 )12 429 6124
Email: w.plonka[A]fqs.pl URL: www.fqs.pl