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- analyze(potList)
perform analysis of GyrPot terms and return nicely formatted
summary
- create_GyrPot(name, sel='all', targetVol=-1, minResScaleFactor=12.279999999999999, maxResScaleFactor=18.66, softScale=0.0001, hardScale=1)
create a gyrPot.GyrPot with the appropriate target volume for the
given atom selection
The relationship between number of residues and gyration ellipsoid volume
has been found to lie in the range minVol..maxVol, where
minVol = minResScaleFactor * numResidues
maxVol = maxResScaleFactor * numResidues
Alternate resScaleFactors can be supplied.
This function creates two potential terms, soft and hard (whose
names have _s and _h suffixes, repsectively). The first has a target
value in the middle of minVol and maxVol. The second term has zero
energy in the whole range minVol to maxVol, but it has a much larger force
constant.
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