From owner-chemistry@ccl.net Thu Nov 15 14:21:01 2012
From: "Torsten Bruhn bruhn+/-chemie.uni-wuerzburg.de" <owner-chemistry_+_server.ccl.net>
To: CCL
Subject: CCL:G: Release of SpecDis 1.60
Message-Id: <-47878-121115141856-26150-HCC75t88nvR8IZHCrasZZw_+_server.ccl.net>
X-Original-From: "Torsten  Bruhn" <bruhn^^chemie.uni-wuerzburg.de>
Date: Thu, 15 Nov 2012 14:18:55 -0500


Sent to CCL by: "Torsten  Bruhn" [bruhn]~[chemie.uni-wuerzburg.de]
Dear CCLers,

we released a new version of SpecDis, a handy tool to process CD and UV calculations from ORCA, Gaussian03/09, and Turbomole (other QM packages on request), to compare these results with experimental data, and to produce graphics in publication quality (in combination with gnuplot). It is freely available at

http://www-organik.chemie.uni-wuerzburg.de/lehrstuehlearbeitskreise/bringmann/specdis/

SpecDis has been compiled using Lazarus (instead of the previously used Delphi) and is now more platform independet, which means that - besides the windows versions - a Linux version is available for the first time. Further changes can be found at the link above.

We are glad for any suggestions or bug reports to further improve SpecDis, so dont hesitate to contact me.

Best regards,

Torsten