(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 7F2
File name: alatis_output_compound.sdf
|
Formula: C8H18O2 Compound mass: 146.2266000000001 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 |
| 7F2 | 5TNM 5TNK 5TNN |
| HTO | 1LGH 3G7F 4N7L 2J8D 5O64 3OTK 3T6D 2WX5 1RZH 2UXM 3D38 3T6E 5NJ4 1RG5 4N7K 2HI2 1L9H 4IN7 2J8C 4IN6 4TSY 1HZX 3V3Z 2PIL 1KMO 6MXT 2I5N 3I4D 2HPY 2HJ6 3OAX 3FYI 2UWU 1YF6 2UXL 2UWV 5IU8 5O4C 2HH1 2G87 2UWT 2BF3 6CSY 1L9B 1U19 3FYE 2UXJ 2PED 3DTU 2UWW 1RP0 2UXK 2HG3 4IN5 1AY2 2UX5 2UX3 2UX4 3HVN |
| HT3 | 3I4D |
| Q6Z | 4C16 |
| HTH | 6CI0 6PW0 6PW1 3OMI 3OMA 3OMN 3OM3 3T6D |
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.