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 ../ 341 (14 years ago) by duarte: Now capturing exit status 137 (2 instances of tinker running in same machine) Now outputting progress per model 338 (15 years ago) by duarte: Initial commit of reconstruct script. Works only sometimes!! Some others doesn't run distgeom without apparent reason! Throwing less exceptions in ConstraintsMaker 335 (15 years ago) by duarte: 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" 323 (15 years ago) by duarte: Moved tinker stuff to its own package
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