Subject: Re: XEASY.prot format problem
From: henry_jonker
Date: Feb 7, 2007
Previous: 343 Next: 345
In nmr_sparky@yahoogroups.com , Suzuki, Rintaro wrote:
It seems to be necessary to adjust format, if you change values
to add 0 at the end of each lines.
This is correct;
--------------------------------------------------------------------
format = %4d %s %1d %1s %9.3g %8.2g %1s %1d %s
values = (peak_id, freq_text, color_code, spectrum_type,
intensity, intensity_error, intensity_method, 0, id_text)
--------------------------------------------------------------------
has to be changed to:
--------------------------------------------------------------------
format = %4d %s %1d %1s %9.3g %8.2g %1s %1d %s %1d
values = (peak_id, freq_text, color_code, spectrum_type,
intensity, intensity_error, intensity_method, 0, id_text, 0)
--------------------------------------------------------------------
This works and I used it quite some time ago for conversion of the
Sparky data to XEASY format for input to ARIA. This was before the
Sparky-input possibility in ARIA.
Concerning Problem 2
It seems indeed that those strange values are a repitition of some of
the previous values; could it be that there have been assignments /and
or peaks deleted that this script tries to use? Maybe the option
delete unused resonances (dr in menu Peak/Resonances) could help.
Henry
Henry