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 citation


CING: an integrated residue based structure validation program suite

J Biomol NMR
PMCID: 3483101
PMID: 22986687
DOI: 10.1007/s10858-012-9669-7

[…] Laskowski et al. ), Molprobity (Lovell et al. ), WHAT_CHECK (Hooft et al. ), and sometimes Model Quality Assessment Programs (MQAPs) (McGuffin ). More recently, a visual validation web server, called NMR Constraints Analyser, has been presented (Heller and Giorgetti ) that focuses on the validation of the distance restraints. Other programs such as PSVS (Bhattacharya et al. ), GLM (Bagaria et al. […]

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

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