(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 035
File name: alatis_output_compound.sdf
|
Formula: C7H16O10P2 Compound mass: 322.1429000000001 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 |
| 036 | 3PFP |
| 035 | 3PFP |
| LI5 | 1YCD |
| 2FP | 3MBF 2QDG 1UMG 3MMT 3ELF 6ALD 1ZAI 1FDJ 4ALD 3LL4 |
| P6F | 5UCP 3T2D 5UD3 5F4S 3GB6 5TKL 5F2G 5TKP 5TKN |
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.