Dear Simpson users

I am happy to announce the release of simpson version 1.1.2, which is now available for download from our web site

http://www.bionmr.chem.au.dk/simpson 

This is considered a bug-fix release, but still it has several new features included. Please refer to the ChangeLog  file to see the list of features/bug-fixes.

One important thing to mention - which lacks a bit of documentation - is the introduction of the companion program "simbio", which is a working version of simpson but including all the commands from simmol as well. Additionally, when using simbio it is possible to load Tcl libraries into the simpson input files, so routines from itcl or other will be available. Also note that simbio has the commands of the graphical toolkit Tk included.
 Simbio may be run either as "simbio test.in" or "simbio -notk test.in", where the latter disables the Tk functionality.

Best regards

Thomas Vosegaard