Wim,
Some problems I'm having with formatConverter:
While importing spectra and setting types, data sources etc.:
1/ "Select experiment for peak list" dialog offers only existing _3D_
experiments in the "Existing 3D experiment" list making it impossible to
select an existing 2D experiment. Since ANSIG 3D crosspeak files contain
both 2D & 3D, this is a pain. This is probably due to the litter left by
ANSIG in the 3rd dim since some of the 2Ds come up with a list of
"Existing 2D experiment"s to select from.
2/ Experiment type "tocsy_HCCH" (3D) seems to actually be a 2D prototype
so one of the three dimensions can't be assigned.
3/ Assumption of dimension ordering for ANSIG format crosspeaks is always
the reverse of the usual situation. i.e. you assume 0 = acqu, 1 = indirect
1, 2 = indirect 2 whereas ANSIG is usually 0 = indirect 2, 1 = indirect 1,
2 = acqu for a 3D. Could there be at least a toggle to handle
this?
4/ The "Do not load" button when selecting which experiments to import
from a crosspeak file still doesn't work. (I assume it's meant to allow
you to deselect experiments from the list - instead it just seems to do
the same as hitting "OK"). This would be a really useful feature.
More generally, I find it painfully slow when deleting imported objects -
e.g. the duff tocsy_HCCH spectra imported in the wrong prototype, or
deleting a (~130 aa) molecule - even on a speedy machine.
--
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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