(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DE1
File name: alatis_output_compound.sdf
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Formula: C10H22O1 Compound mass: 158.28020000000015 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 |
| F09 | 2WGM 1YCE 2DWE 4UUJ 5EBL 2HVK 2DWD 1K4D 2HVJ 1S5H 2JK5 6BY3 6NFU 6BY2 2P7T 6NFV 2W0F 1R3J 2ATK 1R3I 5VKH 1R3L 1ZNK 1ZWI 6PA0 5EC1 5VK6 5EBW 5EC2 1K4C 5EBM 4LBE 5VKE |
| ODI | 2DM5 |
| 5HD | 3DWB |
| O8N | 5TVI |
| PL3 | 2UUU 4RC7 2UUV 4RC5 4QUW |
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.