SPINS: a laboratory information management system for organizing and archiving intermediate and final results from NMR protein structure determinations.
Recent technological advances and experimental techniques have contributed to an increasing number and size of NMR datasets. In order to scale up productivity, laboratory information management systems for handling these extensive data need to be designed and implemented. The SPINS (Standardized ProteIn Nmr Storage) Laboratory Information Management System (LIMS) addresses these needs by providing an interface for archival of complete protein NMR structure determinations, together with functionality for depositing these data to the public BioMagResBank (BMRB). The software tracks intermediate files during each step of an NMR structure-determination process, including: data collection, data processing, resonance assignments, resonance assignment validation, structure calculation, and structure validation. The underlying SPINS data dictionary allows for the integration of various third party NMR data processing and analysis software, enabling users to launch programs they are accustomed to using for each step of the structure determination process directly out of the SPINS user interface.
Baran
Michael C
MC
Center for Advanced Biotechnology and Medicine, Department of Molecular Biology and Biochemistry, Rutgers University, Northeast Structural Genomics Consortium, Piscataway, New Jersey 08854, USA.
Moseley
Hunter N B
HN
Aramini
James M
JM
Bayro
Marvin J
MJ
Monleon
Daniel
D
Locke
Jessica Y
JY
Montelione
Gaetano T
GT
D003196:Computer Graphics; D030562:Databases, Protein; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D015203:Reproducibility of Results; D012984:Software
D011506:Proteins