(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 261
File name: alatis_output_compound.sdf
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Formula: C8H10O2 Compound mass: 138.16340000000005 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 |
| 261 | 3HU8 2RB1 5OMS |
| 16Q | 4HM6 |
| JZ3 | 4QOQ 6HQK 4A6Z 4A78 6HQP 5NCB 3HT9 6HQM 6HQO 6HQL 6HQN 4G05 |
| 268 | 2RBR |
| 3DM | 3VXJ 3FU7 6HQT 6HQS 3FU8 5OMU 5OY2 6HQR 6HQQ |
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.