(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: T55
File name: alatis_output_compound.sdf
|
Formula: C10H20O2 Compound mass: 172.26380000000015 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 |
| FAT | |
| LAU | |
| OCA | 6NAH 6ROP 5Z0B 2BUI 6F65 3L91 1U8U 5TIE 3NQ9 6B81 4RW3 5EFI 1H2B 5X52 2WG9 2EUM 6I94 5TID 5TIF 5KP2 4RW5 2QHS 1V2G 6I93 6I95 3WL8 5F2K |
| M12 | 1T7D 3RUL 3IIQ |
| DEC | 1CLS |
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.