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NIH: National Institute of Diabetes and Digestive and Kidney Diseases NIH: National Institute of Diabetes and Digestive and Kidney Diseases
bit Xplor-NIH VMD-XPLOR
Pydoc: module pasd.reporting
 
pasd.reporting
index


 

 
Functions
       
asciiHistogram(data, minVal=None, maxVal=None, numBins=20, numRows=20, title='Histogram', numXdigits=4, numTrailingLines=2, weights=None, useIntegerBins=False)
Return a string containing an ASCII-art histogram.
chooseBestFraction(namesCoords, peakList, completenessPots=[], frac=0.1, violCutoff=0.5, inverseBound=0, inverseMethylCorrection=0.0, completenessWeight=0, useNonviolCount=False)
Given a list of <filename, atomPosArray> pairs, 
check each one's violations of a given set of peaks
and return a list of the frac% best <filename, atomPosArray> pairs
formatPercent(val, tot, width=None)
Return string reporting number, total and percent
reportNOEaccuracy(pot, refStructFile, violCutoff, highLikeliCut, lowLikeliCut=None, longRangeCut=5)
Return a string reporting peak's agreement with a reference structure.
reportNOEprecision(pot, heavyatomSel, highLikelihoodCut, lowLikelihoodCut=None, longRangeCut=5, tclOutput=False)
Return string reporting NOE precision statistics -
the number of high-likelihood long-range peaks per residue in
the atom selection heavyatomSel
 
If not specified, lowLikelihoodCut is set to 1-highLikelihoodCut.
 
And the NOE discrimination- the fraction of long-range peaks with
likelihoods either above highLikelihodCut or below lowLikelihodCut.
whichBin(val, minVal, maxVal, numBins)
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