(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: GEN
File name: alatis_output_compound.sdf
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Formula: C15H10O5 Compound mass: 270.23650000000004 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 |
| GEN | 1X7J 3KGU 6G8G 5AUZ 4FJ1 2QA8 1X7R 1QKM 3KGT 5KDA 5AV4 |
| QSO | 2QYO 5JMM 4FJ2 |
| 47X | 5AV0 3L5R |
| HMO | 1FP2 |
| AGI | 5AUV 3CF9 4DER 5I2H 5UQT 4HKK 4WO0 4DGM 3AMY |
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.