BMSxNmrML converts BMRB/XML of BMRB metabolomics entries to nmrML. The nmrML is an open mark-up language for NMR data (FID). The BMSxNmrML utilizes owl-indexer, an OWL literal indexing tool, for identifying chemical compounds from ChEBI OWL.
Please refer to the README file for usage.
SCM site in software development
References
- nmrML - Home
- GitHub - nmrML
- Daniel Schober, Daniel Jacob, Michael Wilson, Joseph A. Cruz, Ana Marcu, Jason R. Grant, Annick Moing, Catherine Deborde, Luis F de Figueiredo, Kenneth Haug, Philippe Rocca-Serra, John M Easton, Timothy M.D. Ebbels, Jie Hao, Christian Ludwig, Ulrich L. Günther, Antonio Rosato, Matthias S. Klein, Ian Lewis, Claudio Luchinat, Andrew R Jones, Arturas Grauslys, Martin Larralde, Masashi Yokochi, Naohiro Kobayashi, Andrea Porzel, Julian Griffin, Mark R. Viant, David S Wishart, Christoph Steinbeck, Reza M Salek, and Steffen Neumann, Anal. Chem., 90(1), 649-656 (2017).
- Masashi Yokochi, Naohiro Kobayashi, Eldon L. Ulrich, Akira R. Kinjo, Takeshi Iwata, Yannis E. Ioannidis, Miron Linvy, John L. Markley, Haruki Nakamura, Chojiro Kojima, Toshimichi Fujiwara, J. Biomed. Semantics, 7, 1-4 (2016).
- Eldon L. Ulrich, Hideo Akutsu, Jurgen F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, Steve Mading, Dimitri Maziuk, Zachary Miller, Eiichi Nakatani, Christopher F. Schulte, David E. Tolmie, R. Kent Wenger, Hongyang Yao, John L. Markley, Nucleic Acids Research, 36, D402-D408 (2008).
