VIRTUAL RI / SOFTWARE

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D
ATA PROCESSING AND ANALYSIS


E
VALUATION / FITTING OF NMR PARAMETERS

  • Fantacross, for the analysis of of cross-correlation rates between the dipole-dipole interaction and the Curie spin relaxation
  • Fantasian, for fitting pseudocontact shifts to a known protein structure
  • NMRD, for fitting Nuclear Magnetic Relaxation Dispersion profiles


M
ACROMOLECULAR STRUCTURE CALCULATION

  • HADDOCK, for the calculation of protein-protein, protein-DNA, protein-RNA, protein-oligosaccharides and protein-ligand complexes based on NMR and/or other data
  • PARAMAGNETIC-CYANA, new modules to use paramagnetism-based contraints in the program CYANA
  • PARArestraints for Xplor-NIH, new modules to use paramagnetism-based contraints in the program Xplor-NIH


O
THER TOOLS

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