(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: GIM
File name: alatis_output_compound.sdf
|
Formula: C8H13N2O4 Compound mass: 201.1993000000001 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 |
| GIM | 4RE3 2CEQ 2CES 6EUG 3D4Z 5BX4 |
| MVL | 4CD5 2WZS 6FAR 6F92 2VMF 4RE2 6F90 6RQK 4AYQ 3D4Y 4CD8 |
| XIM | 1FHD |
| GI1 | 2J7D |
| GI3 | 2J7F |
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.