(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MDN
File name: alatis_output_compound.sdf
|
Formula: C1H6O6P2 Compound mass: 176.00210000000004 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 |
| MDN | 3HXY 5YSP 1HUZ 5TLH |
| 911 | 3SDV |
| GB | 2WG1 5O37 6FVP 5LQ1 5LQ8 6FOR 6G3L 2WG0 1CFJ |
| PPM | |
| VXA | 1P0Q 1ESD 1VXO 1P0P 1SOM |
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.