OK. My second message in this thread was in error (about the project
being invalid under 1.0.b14 too) - I had preserved my 1.0.b14 analysis
setup by simply moving it from /usr/local/ccpnmr to
/usr/local/ccpnmr1.0.b14 and had changed my $CCPNMR_TOP_DIR environment
variable and $PYTHONPATH to pick up the old setup. However, the project's
top xml file refers to chemElement and chemComp by their full path which
was, of course pointing to the new setup under /usr/local/ccpnmr. All
fixed now.
Recommendation to anyone working with multiple versions would therefore be
to install each under their own version name and link the one you're using
to a generic directory (like /usr/local/ccpnmr).
On Thu, 12 Aug 2004, Tim Stevens wrote:
> At the command line prompt try something like:
>
> p = top.project
>
> for ml in p.nmrMeasurementLists:
> for mm in ml.measurements:
> peakDict = {}
> for peak in mm.peaks:
> peakDict{peak} = 1
>
> peaks = peakDict.keys()
> mm.setPeaks(peaks)
Tried this and get:
File "<stdin>", line 5
peakDict{peak} = 1
^
SyntaxError: invalid syntax
etc.
Should it be:
p = top.project
for ml in p.nmrMeasurementLists:
for mm in ml.measurements:
peakDict = {}
for peak in mm.peaks:
peakDict[peak] = 1
peaks = peakDict.keys()
mm.setPeaks(peaks)
Tried this but doesn't seem to solve the problem - I get the same error.
I think I can see where the error is coming from in
ccpnmr1.0/python/ccp/api/Nmr.py, but am mystified as to what the setPeaks
function is actually doing!
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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