[ViewVC] Log of: owl/trunk/proteinstructure/aapairsBounds.dat

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Revision 335 - (view) (annotate) - [select for diffs]
Added Tue Oct 2 14:59:28 2007 UTC (16 years, 11 months ago) by duarte
File length: 3362 byte(s)

Now ConstraintsMaker works also for multi atom contact types (BB and SC) and crosses (either BB/SC or any cross to a single atom contact type)
New file aapairsBounds.dat with values for aminoacid side chains distance lower and upper bounds taken from statistics of a set of pdb representatives
New in AAinfo: aapairs2bounds and changed getUpperBoundDistance, getUpperBoundDistance to accomodate aapairs2bounds
PRMInfo: now for amber "OXT" gets transformed into "O"

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