(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: EFS
File name: alatis_output_compound.sdf
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Formula: C2H7O4P1 Compound mass: 126.04810000000003 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 |
| EFS | 2WSL 1XLV 1P6B 3CAK 5HF8 5HF6 |
| ATJ | 2C0P |
| MIP | |
| ISP | 3S2F 1TRY 1TRN 1O6E 1NTP 1XLU 1GMH |
| DPF | 5IVK 4UBL 4UBI 4W1R 4FNM 4W1S 4UBM 4UBK 2R1M 2R1K 3UR5 4UBO 4UBN 5CH5 5IVI 3CAK 4W1P 4UBJ 3URB 4QWM 4W1Q |
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.