(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: RCO
File name: alatis_output_compound.sdf
|
Formula: C6H6O2 Compound mass: 110.11040000000003 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 |
| 13X | 5MG5 4HDK 6BZA |
| RCO | 4Z10 2OM0 2OM1 2OLY 3ZU1 1EVR 1QIZ 4AJX 3AQT 2OLZ 2OMI 4E49 2W44 2OMH 4QOO 4DM3 6GSG |
| PYG | 4V4D 1TI4 4QOM 3HHX 1VLE 3O6R |
| BTT | 1VLF 1TI6 4V4E |
| HQN | 3O6J |
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.