(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MB3
File name: alatis_output_compound.sdf
|
Formula: C5H9N1O1 Compound mass: 99.13070000000005 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 |
| MB3 | 5XDT 3P1D 3MB4 4QSS 4A9F 3RCW 3MB3 3UVD |
| LCY | 3QW1 4R0O 3A2G |
| BAQ | 5OH2 4IOQ |
| NEN | 3NVJ 1RQ1 1CR5 3M31 1RP4 4H46 2Z6B |
| IP4 |
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
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- 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.