(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MCT
File name: alatis_output_compound.sdf
|
Formula: C7H8O2 Compound mass: 124.13690000000004 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 |
| MCT | 1DMH 1L4G 3FW5 4K7N 2EHZ 3HPY 3HJS 5ZNH |
| MBD | 2WL9 1KNF 3HJQ |
| 2MP | 1L5O 5FRZ |
| CRS | 7INS 6GNQ 4GBN 1EV3 4E7V 1EV6 4GBI 4GBC 1ZEI 2OMG 1ZEH 1UZ9 4GBL 4GBK |
| ERH | 5FRY |
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.