Software

Revision as of 12:34, 21 September 2010

Software developed by P. Güntert and collaborators.

Available softwares

• ATNOS: Automated NOESY peak picking

• AUTOPSY: Automated peak picking in NMR spectroscopy

• CANDID: Combined automated NOE assignment and structure determination module

• COCO: Compare covalent geometry

• COFIMA: Coordinate and constraint file manipulation

• CYANA: Combined assignment and dynamics algorithm for NMR applications

• CYRANGE: Determination of optimum residue ranges for the superposition of protein structures

• GARANT: General algorithm for resonance assignment

• INFIT: Coupling constants from inverse Fourier transformation of in-phase multiplets

• MAPPER: Sequence-specific NMR assignment of proteins by global sequence mapping

• POMA: Product operator formalism in Mathematica

• PROSA: Processing algorithms

• XEASY: X-windows version of ETH automated Spectroscopy

Other softwares

Not yet available, not separately available or outdated softwares.

• ASNO: Semi-automated assignment of NOEs

• CALIBA: Calibration of NOE distance constraints

• DIANA: Distance geometry algorithm for NMR applications

• DYANA: Dynamics algorithm for NMR applications

• EASY: ETH automated spectroscopy

• FLYA: Fully automated structure determination of proteins in solution

• FOUND: Grid search and stereospecific assignment algorithm

• GLOMSA: Global method for stereo-specific assignments

• HABAS: Grid search and stereospecific assignment algorithm

• INCLAN: Interactive command language

• OPAL: Energy refinement and MD simulation algorithm for vector supercomputers

• OPALp: Energy refinement and MD simulation algorithm