Subject: Re: [nmr_sparky] corma spectrum
From: Thomas Goddard
Date: Aug 23, 2006

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Hi Fabian,

The trouble is that your file of CORMA simulated peak intensities
does not have the right format. Heres the format as described in the
Sparky manual:

ATOM1 ATOM2 DISTANCE RATE Icalc Iobs error
H1 4 2H2 4 2.357 -4.97628 0.11698 0.06497 0.05201 ****
H1 4 H8 41 3.989 -0.21205 0.03088 0.03152 -0.00064
...

(The atom names are nucleic acids but protein names work fine too as long
as they match your peak assignment names.) Heres the full description:

http://www.cgl.ucsf.edu/home/sparky/manual/extensions.html#CormaSpectrum

The error message means Sparky was parsing the peak file and tried to
interpret SOL------- from the file as an integer. The simplest solution
is to find that text in the peak file and fix it with a text editor.

The corma.py file referred to in the error message is located in your
Sparky distribution at

sparky/python/sparky/corma.py

It is a text file containing Python code. The paths shown in the
error message like

/usr/local/src/sparky/platforms/linux-2.6.9/sparky-install/python/sparky/corma.py

dont match your actual installation location because those paths were
put into the compiled python code corma.pyc when I built the Sparky
distribution on my computer. Just ignore the part up to directory
sparky-install if you want to find the Python file where the error
occured in your copy of Sparky.

Tom