(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DNA
File name: alatis_output_compound.sdf
|
Formula: C11H8O4 Compound mass: 204.1785000000001 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 |
| DNA | 3I64 |
| GTQ | 3JUT 4E3D 3NW4 4FAG 3NL1 |
| DBH | 1L6M 4E5L 3U0D 3TF6 3T1D 3CMP 3I0A 2WHY 3BY0 3K3L 3SAO 1MDB 1MD9 |
| BIK | 1U5C 1U5A |
| 1HN | 3NKT |
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.