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Software developed by P. Güntert and collaborators. | Software developed by P. Güntert and collaborators. | ||
== Available | == Available software == | ||
* [[ARTINA]]: Artificial intelligence for NMR applications | |||
* [[ATNOS]]: Automated NOESY peak picking | * [[ATNOS]]: Automated NOESY peak picking | ||
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* [[CANDID]]: Combined automated NOE assignment and structure determination module | * [[CANDID]]: Combined automated NOE assignment and structure determination module | ||
* [[Chess2FLYA]]: Chemical shift statistics to FLYA | |||
* [[COCO]]: Compare covalent geometry | * [[COCO]]: Compare covalent geometry | ||
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* [http://www.cyana.org/wiki CYANA]: Combined assignment and dynamics algorithm for NMR applications | * [http://www.cyana.org/wiki CYANA]: Combined assignment and dynamics algorithm for NMR applications | ||
* [ | * [[CYLIB]]: CYANA library entry preparation from mmCIF or Mol2 files | ||
* [https://uni-frankfurt.guentert.science/cyrange CYRANGE]: Determination of optimum residue ranges for the superposition of protein structures | |||
* [[GARANT]]: General algorithm for resonance assignment | * [[GARANT]]: General algorithm for resonance assignment | ||
* [[INFIT]]: Coupling constants from inverse Fourier transformation of in-phase multiplets | * [[INFIT]]: Coupling constants from inverse Fourier transformation of in-phase multiplets | ||
* [[KUJIRA]]: Interactive and semi-automatic NMR spectra analysis | |||
* [https://nmrtist.org/ NMRtist]: Online platform for automated biomolecular NMR spectra analysis | |||
* [[MAPPER]]: Sequence-specific NMR assignment of proteins by global sequence mapping | * [[MAPPER]]: Sequence-specific NMR assignment of proteins by global sequence mapping | ||
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* [[UPLABEL]]: Unique pair labeling | * [[UPLABEL]]: Unique pair labeling | ||
== Other software == | |||
== Other | |||
Not | Not separately available, not yet available, or outdated software. | ||
* [[ASNO]]: Semi-automated assignment of NOEs | * [[ASNO]]: Semi-automated assignment of NOEs | ||
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* [[OPALp]]: Energy refinement and MD simulation algorithm | * [[OPALp]]: Energy refinement and MD simulation algorithm | ||
* [[XEASY]]: X-windows version of ETH automated Spectroscopy | |||
Latest revision as of 11:32, 25 January 2026
Software developed by P. Güntert and collaborators.
Available software
- ARTINA: Artificial intelligence for NMR applications
- ATNOS: Automated NOESY peak picking
- AUTOPSY: Automated peak picking in NMR spectroscopy
- CANDID: Combined automated NOE assignment and structure determination module
- Chess2FLYA: Chemical shift statistics to FLYA
- COCO: Compare covalent geometry
- COFIMA: Coordinate and constraint file manipulation
- CYANA: Combined assignment and dynamics algorithm for NMR applications
- CYLIB: CYANA library entry preparation from mmCIF or Mol2 files
- 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
- KUJIRA: Interactive and semi-automatic NMR spectra analysis
- NMRtist: Online platform for automated biomolecular NMR spectra analysis
- MAPPER: Sequence-specific NMR assignment of proteins by global sequence mapping
- POMA: Product operator formalism in Mathematica
- PROSA: Processing algorithms
- UPLABEL: Unique pair labeling
Other software
Not separately available, not yet available, or outdated software.
- 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
- FLATT: Baseline correction for multidimensional NMR spectra
- 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
- IFLAT: Baseline correction for multidimensional NMR spectra
- INCLAN: Interactive command language
- OPAL: Energy refinement and MD simulation algorithm for vector supercomputers
- OPALp: Energy refinement and MD simulation algorithm
- XEASY: X-windows version of ETH automated Spectroscopy