(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: BNZ
File name: alatis_output_compound.sdf
|
Formula: C6H6 Compound mass: 78.11160000000004 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 |
| BNZ | 227L 2YKY 1CP4 1A7Z 1XXJ 4I7J 3GUJ 223L 220L 3HH4 1SWI 4W52 3DMX 181L 1L83 2Z9G 5JWT 1L84 |
| 8P0 | 5VH0 |
| NPY | 1O7G 6EKW 5VKF |
| AN3 | 2HMM 2HMN |
| PEY | 2HML 2HMK |
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.