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r466
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ConstraintsMaker.java 466 (12 years ago) by lpetzo: MAJOR CHANGES: - merge the changes from the jung-branch: *Pdb loading scheme together with new methods getChains(), getModels() - different exceptions
PRMInfo.java 335 (13 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"
TinkerError.java 323 (13 years ago) by duarte: Moved tinker stuff to its own package
TinkerRunner.java 466 (12 years ago) by lpetzo: MAJOR CHANGES: - merge the changes from the jung-branch: *Pdb loading scheme together with new methods getChains(), getModels() - different exceptions
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