(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TBR
File name: alatis_output_compound.sdf
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Formula: Br12Ta6 Compound mass: 2044.5354000000007 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| TBR | 5EUL 4B09 3RWR 4J9U 4R6C 6M9G 3EN9 3OTT 3ENH 3C0V 2BVL 1DD4 6M97 4CV5 6OTL 4ZC0 1Z7L 3RZS 5OAR 1HKX |
| J1S | 3WFT 5AZR 3WFU 5AZQ |
| J1R | 5AZR 3WFT 3WFU 5AZQ |
| 33W | 4TQF |
| GIX | 3QUG |
Citation:
- Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y
Disclaimer:
- The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.