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Changes in coming version 5.X (X >= 9) (available soon)

• Changed the way ranges are given, now is like A:1..A:10,A:20..A:30,B:10..B50 (as Pieter Hendrickx suggested)
• Added support to run FindCore with nucleic acids. The -bb (backbone) now checks for DNA or RNA backbone
• When ranges cross stable regions, like A:1..B:92 before they were output like that. Now it will detect where the chain ends and output: A:1..A:53,B:1..B:92 (Pieter)
• Previously when atoms were missing between models of the same ensemble the program either stopped or gave NaN. Now coverage (to some extension) for different atoms (or missing atoms) across the members of the ensemble is done (Pieter Hendrickx)
• Expansion of the core given by FindCore
• FindCore/PdbStat multichain-aware. Now multichain can be worked out properly
• Representative (medoid) model determination
• NOE completeness calculation (as described in Journal of Biomolecular NMR, 14: 123, 1999) New: the expected NOE can be built from chemical shifts if provided, rather than from the sequence alone.
• Analysis of restraint violation analysis revisited, now includes RDC, Da, R. Count and classified in NH-H, ... Dihedrals are counted and classified into PHI, PSI, CHI new more detailed statistics (average, std. dev., ...)
• Reading/Writing and analysis of Rosetta restraints
• Reading of chemical shifts list, BMRB format (both v2.1 and v3.1 are covered).
• Implemented reading of restraints in Discover/Biosym format

Changes for version 5.4 . This version has new capabilities that have been tested in real structure calculation and refinement processes.

• read of residual dipolar coupling (RDC) in PALES, CYANA, XPLOR/CNS
• SVD calculation of Da and R. RDC satifaction analysis
• directly read dimers from CYANA (avoids, LL,LP,PL, etc) and adjusts numbering

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