(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CHX
File name: alatis_output_compound.sdf
|
Formula: C6H12 Compound mass: 84.15900000000008 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 |
| CHX | 1TIO 3F5B |
| E8N | 6FVK 6FW1 6G0M 6G3L 6G23 6FVP 6FWE 6G1J 6G3M |
| ADM | 4CPP 4LKL 3CP4 |
| HEX | 2XE5 2YNK 5I71 1GMD 1GHB 6JO0 5AJI 4DX5 2J58 1CWQ 6Q4O 3U0P 6Q4P 1CI1 2GSK 1SWX 6EUQ 2EVS 5XDN 4I35 6E1O 4GJQ 4HWL 5I74 5B2N 4DX7 5JMN 3TZV 5NC5 6Q4N 2EVT 3RS3 4PDL 4HYX 2XE1 5XDO 2TIO |
| CAE | 5UDA 6CPP |
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.