First, thanks to Wayne, Patrick, and Justin for suggestions so far.
pipe2azara deals just fine with a "single" nmrpipe file as input (not sure
why I thought otherwise, works beautifully). The spectrum will open and
display contours on-the-fly, albeit too slowly to be useful for any sort of
scrolling through spectra for assignments. Same is true for ucsf format.
Presumably pre-calculated contour files will fix this speed issue, but
that's where a bit of frustration starts to set in...
If I adjust my contour levels to something reasonable in terms of both S/N
and number of levels (6 each +/-) and then try to pre-calculate contours in
this orthogonal (zy) dimension (new contour file button), it runs for a
minute or so and then dump core with the following output:
/usr/local/ccpnmr/bin/analysis: line 8: 768 Segmentation fault
/sw/bin/python -i -O
$CCPNMR_TOP_DIR/ccpnmr1.0/python/ccpnmr/analysis/AnalysisGui.py $1 $2 $3 $4
The message prior to that is that the Azara format spectrum successfully
opened. For what it's worth, I'm working in a separate project trying to
sort this out, so this is the only spectrum and only window open.
Before core gets dumped, a ~14 MB file is created in the project's
contourStore directory. I've tried to manually add this file, and get
another core dump trying to read it.
Now that I have the data in Azara format, I've also tried using the old
"contours" program. This goes through 50 chunks or so as expected and
creates a reasonable sized file (a bit under 3 megs after I adjust the
thresholds up, a scaling factor vs. analysis?). If I try to add this to my
project, I get a "magic number invalid" error. Do Analyis and Azara use
different formats for storing contour data?
Summary - block data is a major improvement, but I still can't contour
except in the normal (xy) dimension. Any further suggestions?
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