Hi,
Here's a naive example of how I shared assignments from one
(ANSIG) project to an (already existing) analysis/data model project.
Hopefully I will be told how I should have done this more efficiently and
also we'll get some tips on how one would move assignments from project to
project in analysis.
Scenario:
1. analysis set up with N15 T1 planes split out from a pseudo 3D (AFAIK
analysis should be able to handle the whole pseudo3D nicely, but I wasn't
sure I wanted to go there straight away). Added the "reference" hsqc.
Saved project and quit.
2. project opened in formatConverter GUI.
3. imported ANSIG sequence file. Answered "yes" to "create another copy
of molecule" popup and gave it segid A. Subsequently deleted the blank
segid molecule using Other->general editor->MolSystem->Chain.
4. imported ANSIG xpk file containing just the assigned hsqc crosspeaks
(this latter a bit of a hack made by grepping out the hsqc crosspeaks and
creating an ANSIG header with the number of crosspeaks on line 2
adjusted).
Went through creating a new dummy (hsqc) experiment to accommodate the
peak list (any way to associate an incoming peak list with an existing
spectrum?).
4. Process-> Run linkResonances (successful)
5. Saved project and quit formatConverter
6. opened project in analysis
7. Used Crosspeaks->Current Peak Lists->Copy Peaks to copy crosspeak list
from dummy hsqc to previously loaded one.
6. Ready to rock and roll
Erm, now I guess I get on picking crsspeaks in my T1 expts and propagating
the assignments from the HSQC. Anyone feel like letting me into the ideas
behind the Data analysis functions - I bet the relaxation rate handling
stuff is in there already. The HetNOE box looks nice.
Funninesses found along the way
1. formatConverter: Project->close->yes doesn't close the current project
apparently. Also shouldn't formatConverter prompt for "save current
project" before closing one or quiting?
2. formatConverter: Import->Peaks->Ansig->IMPORT->"Do not load" does not
seem to do anything.
3. analysis: Data analysis->Measurement Lists or Measurements produces
stack trace:
>>> Exception in Tkinter callback
Traceback (most recent call last):
File
"/usr/src/build/143041-i386/install/usr/lib/python2.2/lib-tk/Tkinter.py",
line 1292, in __call__
return apply(self.func, args)
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/AnalysisPopup.py",
line 827, in editMeasurementLists
popup = self.openPopup('edit_measurement_lists',
EditMeasurementListsPopup)
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/AnalysisPopup.py",
line 772, in openPopup
popup = self.popups[popup_name] = clazz(self, transient=transient,
*args, **kw)
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/EditMeasurementListsPopup.py",
line 27, in __init__
BasePopup.__init__(self, parent, title="Measurement Lists", **kw)
File "/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/BasePopup.py",
line 47, in __init__
memops.gui.BasePopup.BasePopup.__init__(self, parent, *args, **kw)
File "/usr/local/ccpnmr/ccpnmr1.0/python/memops/gui/BasePopup.py", line
105, in __init__
self.initial_focus = self.body(frame)
File
"/usr/local/ccpnmr/ccpnmr1.0/python/ccpnmr/analysis/EditMeasurementListsPopup.py",
line 82, in body
Implementation.registerNotify(self.updateMeasurement,clazz, func)
File
"/usr/local/ccpnmr/ccpnmr1.0/python/memops/general/Implementation.py",
line 100, in registerNotify
notifies = getClassFromFullName(classname).notifies
File
"/usr/local/ccpnmr/ccpnmr1.0/python/memops/general/Implementation.py",
line 88, in getClassFromFullName
return getattr(mod,pathList[-1])
AttributeError: 'module' object has no attribute 'DipolarRelax'
--
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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