(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NBU
File name: alatis_output_compound.sdf
|
Formula: C4H10 Compound mass: 58.12179999999999 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 |
| SBU | |
| BUT | |
| NBU | 2BOS 1QMS 1KOU 1BYH 3U0P |
| LNK | 1IN3 1IN2 5XDO 1GJF 2EVL 1GJG 5VRG |
| TME | 6IUR 2KNL 2KNK 4XG1 4ZDR 1LUH 1HZ2 |
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.