From owner-chemistry@ccl.net Tue Feb  7 14:33:01 2017
From: "Torsten Bruhn torsten.bruhn_-_mail.uni-oldenburg.de" <owner-chemistry[a]server.ccl.net>
To: CCL
Subject: CCL: SpecDis 1.70
Message-Id: <-52626-170207143224-10752-jUeM7HpEtDb3J95ldP4UaQ[a]server.ccl.net>
X-Original-From: "Torsten  Bruhn" <torsten.bruhn^_^mail.uni-oldenburg.de>
Date: Tue, 7 Feb 2017 14:32:21 -0500


Sent to CCL by: "Torsten  Bruhn" [torsten.bruhn-*-mail.uni-oldenburg.de]
Hi all,

we released a new version of SpecDis, a tool to compare calculated and experimental CD spectra (UV/ECD, IR/VCD). It is free and there are version for Windows and Linux (GTK2). For details on the changes have a look at 

https://specdis-software.jimdo.com/

The layout has been changed significantly UV/ECD or IR/VCD are handled in one tab now. We added a peak picking tool and SpecDis calculates g factors now. Furthermore, the work flow for Boltzmann weighting has been improved and the similarity algorithms have been changed so that they produce even more reliable values. 

There are many more changes, they are all listed in the download section.

If you have any suggestions please send me an email, every constructive feedback is welcome.

Cheers,

Torsten