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CCPNMR  August 2004

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Subject:

Re: analysis 1.0.b15: backwards compatability probs

From:

Wayne Boucher <[log in to unmask]>

Reply-To:

CcpNmr software mailing list <[log in to unmask]>

Date:

Thu, 12 Aug 2004 15:53:18 +0100

Content-Type:

TEXT/PLAIN

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Parts/Attachments

TEXT/PLAIN (74 lines)

If this is considered to be a good idea (having multiple versions) then we
can start to use the release number in the top ccpnmr directory, so that
instead of being ccpnmr1.0 it would be ccpnmr1.0.b15 (or something like
that).

Wayne

On Thu, 12 Aug 2004, Brian Smith wrote:

> 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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