(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: EQU
File name: alatis_output_compound.sdf
|
Formula: C18H18O2 Compound mass: 266.33360000000005 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 |
| EQU | 5KP3 1OGZ 3OWU 1OGX 3OV4 5KP1 3IPT 1QJG 1W6Y 1OHO 3FZW 5G2G 3OWY 5AI1 1GS3 3MYT 3OWS 1OH0 3M8C 1CQS 5UGI |
| J3Z | 3HM1 6MNE 5HS6 6MNC |
| J2Z | 3HLV |
| SDT | 2ZI8 |
| 17M | 2B1Z |
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.