In biomolecular structure, CING stands for the Common Interface for NMR structure Generation and is known for structure and NMR data validation.
NMR spectroscopy provides diverse data on the solution structure of biomolecules. CING combines many external programs and internalized algorithms to direct an author of a new structure or a biochemist interested in an existing structure to regions of the molecule that might be problematic in relation to the experimental data.
The source code is maintained open to the public at Google Code. There is a secure web interface iCing available for new data.
Applications
9000+ validation reports for existing Protein Data Bank structures in NRG-CING. CING has been applied to automatic predictions in the CASD-NMR experiment with results available at CASD-NMR.
Validated NMR data
Protein or Nucleic acid structure together called Biomolecular structure
Chemical shift
(Nuclear Overhauser effect) Distance restraint
Dihedral angle restraint
RDC or Residual dipolar coupling restraint
NMR (cross-)peak
Software
Following software is used internally or externally by CING:
3DNA
Collaborative Computing Project for NMR
CYANA (Software) DSSP (algorithm) MOLMOL Matplotlib Nmrpipe PROCHECK/Aqua POV-Ray ShiftX TALOS+ WHAT_CHECK Wattos XPLOR-NIH Yasara
Algorithms
Saltbridge
Disulfide bridge
Outlier
Funding
The NRG-CING project was supported by the European Community grants 213010 (eNMR) and 261572 (WeNMR).
References
External links
CING - includes tutorials and blog. iCing - web interface to CING. software - Google code with issue tracker and Wiki. NRG-CING - validation results on all PDB NMR structures. CASD-NMR CING - validation results of recent CASD-NMR predicted structures.