(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NBN
File name: alatis_output_compound.sdf
|
Formula: C5H9N1 Compound mass: 83.13130000000005 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 |
| NBN | 105M 108M 1GEM 103M 1NBB 2YIV 107M 1GEI 104M 111M 1GEJ 101M 2MYC 2HBE 1S61 1GEK |
| NPN | 2HBF 2MYD 112M |
| CYI | 2CZ6 2D0Q |
| 4HA | 1S83 2YG4 |
| DCI |
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.