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
$5
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?
Andrew
Notice: This UI Health Care e-mail (including attachments) is covered by the Electronic Communications Privacy Act, 18 U.S.C. 2510-2521, is confidential and may be legally privileged. If you are not the intended recipient, you are hereby notified that any retention, dissemination, distribution, or copying of this communication is strictly prohibited. Please reply to the sender that you have received the message in error, then delete it. Thank you.
|