(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 01Y
File name: alatis_output_compound.sdf
|
Formula: C7H12O3 Compound mass: 144.16790000000006 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 |
| 01Y | |
| 01Z | |
| TFB | 5UAV 1TIW 3E2R 4JNY 4H6Q 4JNZ 1KB0 4NMA 5KF7 5KF6 |
| CE9 | 3DM8 5K9D |
| N8E | 1TV5 1WDL 2W77 2W78 2W16 4AIP 1WDK 3L4D 2W6T 2W75 2W76 2W6U 2O5P |
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.