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ARIA 2.2 update

Update of the version 2.2 of ARIA (mainly bug fixes)

New features:

  • GUI Peak Maps can be saved as Postscript files. The restraint and contribution tables can also be written as formatted text files.
  • Ambiguous disulfide bridges (restraints): DISN patches applied to selected cysteines.
  • CNS analysis of the solvent refined structures.
  • Reading of external PDB files should now return the guilty lines when error occurs.

Bug fixes:
  • GUI color with Tcl/Tk8.4
  • GUI Peak Map starting residue fixed
  • RMS violations and Network-anchoring scores Postscript graphics: starting residue fixed
  • Matplotlib/Numeric/Numpy compatibility (should be solved)
  • Check for the Numeric version to avoid issues relative to slicing (W. Rieping)
  • CCPN:ARIA import/export bug fixes/enhancements (T. Stevens)
  • cis-Proline topology corrected for certain residues (eg ALA-PRO)
  • CCPN ConstraintList import related bug fixes.

  • conversion from old aria1.x peak lists and chemical shift lists aka. tbl/ppm format (not documented and not bug free)

Visit the Download area to get the latest version of ARIA 2.2
« May 2024 »