(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HXD
File name: alatis_output_compound.sdf
|
Formula: C12H24O3 Compound mass: 216.31620000000018 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 |
| 5UF | 5F2N 5F2O |
| FGM | 3U8F |
| KKJ | 3T2V |
| HXD | 4WX0 2DDH |
| FTT | 4D65 5FVN 1QFF 4CU4 1QKC 5TV4 1QJQ 3FXI 5W7B 1QFG 5W7C 2GRX 1FI1 5W7F 6BPP 4IHG 6I98 6BPL 5W7A |
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.