Subject: Re: sparky2csi
From: andrewjamesperry2002
Date: Mar 5, 2006

Previous: 76 Next: 84


Sorry for the slow response. Ive uploaded a script csi_output.py to
the group (http://groups.yahoo.com/group/nmr_sparky/files/) , which
runs within Sparky. It takes all HA, CA, CB and C resonances in the
current project and writes some CSI compatible files.
Look at the top of the script for more info ... you need to set it up
by adding a few lines to your sparky_init.py file.

This script is very alpha, and really quite terrible, but I has
worked ... I only put in the bare minimum of debugging (and
optimisation) effort required to get this working for a single protein
structure project, so it has really only been used once so far :).

So, as is often stated as an acronym, Your Mileage May Vary.

Hope it helps,

Andrew Perry



--- In nmr_sparky@yahoogroups.com , Markus Heller hellerm2@... wrote:

hey group,

does anybody have a script that spits out the chemical shifts in a
format suitable for use with wisharts CSI program? im sure something
like this exists, right? ;)

thanks a ton in advance
markus