Software
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Software developed by P. Güntert and collaborators. | Software developed by P. Güntert and collaborators. | ||
| − | == Available | + | == Available software == |
* [[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 | ||
| + | |||
| + | * [http://www.bpc.uni-frankfurt.de/cyrange.html 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 | ||
* [[MAPPER]]: Sequence-specific NMR assignment of proteins by global sequence mapping | * [[MAPPER]]: Sequence-specific NMR assignment of proteins by global sequence mapping | ||
| Line 24: | Line 30: | ||
* [[PROSA]]: Processing algorithms | * [[PROSA]]: Processing algorithms | ||
| + | |||
| + | * [[UPLABEL]]: Unique pair labeling | ||
* [[XEASY]]: X-windows version of ETH automated Spectroscopy | * [[XEASY]]: X-windows version of ETH automated Spectroscopy | ||
| − | == Other | + | == Other software == |
| − | Not | + | Not separately available, not yet available, or outdated software. |
* [[ASNO]]: Semi-automated assignment of NOEs | * [[ASNO]]: Semi-automated assignment of NOEs | ||
| Line 40: | Line 48: | ||
* [[EASY]]: ETH automated spectroscopy | * [[EASY]]: ETH automated spectroscopy | ||
| + | |||
| + | * [[FLATT]]: Baseline correction for multidimensional NMR spectra | ||
* [[FLYA]]: Fully automated structure determination of proteins in solution | * [[FLYA]]: Fully automated structure determination of proteins in solution | ||
| Line 48: | Line 58: | ||
* [[HABAS]]: Grid search and stereospecific assignment algorithm | * [[HABAS]]: Grid search and stereospecific assignment algorithm | ||
| + | |||
| + | * [[IFLAT]]: Baseline correction for multidimensional NMR spectra | ||
* [[INCLAN]]: Interactive command language | * [[INCLAN]]: Interactive command language | ||
| Line 53: | Line 65: | ||
* [[OPAL]]: Energy refinement and MD simulation algorithm for vector supercomputers | * [[OPAL]]: Energy refinement and MD simulation algorithm for vector supercomputers | ||
| − | * [[OPALp]]: Energy refinement and | + | * [[OPALp]]: Energy refinement and MD simulation algorithm |
Latest revision as of 10:40, 17 May 2013
Software developed by P. Güntert and collaborators.
Available software
- 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
- 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
- MAPPER: Sequence-specific NMR assignment of proteins by global sequence mapping
- POMA: Product operator formalism in Mathematica
- PROSA: Processing algorithms
- UPLABEL: Unique pair labeling
- XEASY: X-windows version of ETH automated Spectroscopy
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
