(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: COU
File name: alatis_output_compound.sdf
|
Formula: C9H6O2 Compound mass: 146.14250000000004 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 |
| COU | 3L5M 4UTI 3CRB 4UTL 3L68 1Z10 3L66 2PMJ 2H90 2PWB |
| 3AV | 4TY8 |
| 4JQ | 4YRQ |
| 8CM | 2H8Z 4UTJ 4UTM |
| ZZ1 | 4R6P 4R6O 2CIP 5GZA |
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.