NMR Constraints Analyser specifications


Unique identifier OMICS_17106
Name NMR Constraints Analyser
Software type Package/Module
Interface Command line interface
Restrictions to use None
Input data A PDB entry id or the .pdb file, containing the three-dimensional coordinates of the molecule's atoms divided per model and the .mr file containing the constraints obtained from an NMR spectroscopy experiment that can be downloaded from the RCSB PDB databank.
Input format Cyana/DYANA and XPLOR/CNS
Output data A clickable bar chart image, a Jmol applet showing the structure of the molecule colored by the number of constraints per residue, a tabular representation of the constraints atom by atom, a pdb formatted file with the constraints per residue written in correspondence of the beta-factor column and an hydrogen-bond calculation.
Programming languages Python
Computer skills Advanced
Stability Stable
Maintained Yes


No version available



  • person_outline Alejandro Giorgetti <>

Publication for NMR Constraints Analyser

NMR Constraints Analyser institution(s)
Department of Biotechnology, University of Verona, Verona, Italy

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