Wim,
I am just trying to import an existing ANSIG project into
formatConverter and am having a few problems.
1. I'm reading a 3D ANSIG xpk file, but the first crosspeaks in it are
from a 2D HSQC. formatConverter wants to treat this as a 3D although it
seems to be OK at working out which 2Ds and 3Ds later in the xpk file. I
guess this is because there are some chemical shift values in the 3rd dim
of the hsqc peaks in the file. This can happen because ANSIG does not
bother to zero shifts for dimensions it doesn't care about for a
particular xpk/spectrum combination, and it reuses slots in the peak
database when crosspeaks are deleted. So I can "show all expTypes" and
set the correct (2D) one, but I am still offered 3 dims to assign
nuclei/shift ranges to and have no mechanism to tell the program to ignore
the irrelevant dimension.
If I delete the 3rd dim shift from the first nhsqc crosspeak in
the ANSIG .xpk file, I am offered all (2D & 3D) expTypes but now get the
correct number of dimensions to assign nuclei/shift ranges to.
2. Opening a help window seem to lock up the rest of the GUI - it would be
nice to be able to have a help window up and then follow the instructions
it contains!
3. Uninteruptableness: If you find yourself doing something that you don't
really want to with formatConverter it seems to be hard to kill (basically
you have to kill the parent python process with a "kill" command). It
would be nice to be able to interrupt things, or at least kill the program
with a Ctrl-C/D.
4. Handling -ve sequence numbers. I had the cloning artefacts in my
sequence numbered with -ve numbers followed by the authentic sequence
numbered from 1. So I had -1,1 with no 0 between (since 0 doesn't mean
anything in this context and ANSIG doesn't handle it gracefully).
Unfortunately it looks as if formatConverter (and the data model) counts
through 0 in this case.
5. Given that formatConverter doesn't give a python prompt, I don't see
ways to run integrity checks or do anything not coded in the menus as with
analysis.
Brian
--
Dr. Brian O. Smith ---------------------- B.Smith at bio.gla.ac.uk
Division of Biochemistry & Molecular Biology,
Institute Biomedical & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459 Fax: 0141 330 8640
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