(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NRU
File name: alatis_output_compound.sdf
|
Formula: H18N6Ru1 Compound mass: 203.25240000000002 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 |
| NRU | 2HTT 2HTO |
| RU | 3MNN 4UWU 3O7S 4W96 5TOP 4J1A 5IFO 3M1J 3WVW 5MWU 4NY5 4W94 1O3Z 3O7R 5OB7 5X5P 5JLG 5LVJ 3WVV 6BO2 4UWN 5LVI 5LVK 4L55 5TOY 4UWV 5KJ9 3WVU 5LVH 2XJW 4J1B 5VLE 3FXS 6FTV 5WTD 3W6A 5L8D 5LVG |
| 0BE | 4P4K |
| 2OF | |
| 3OF |
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.