The outcomes of processes on our target databases (
BMRB, PubChem, HMDB, PDB RCSB Ligand-Exp) are shown in this tab.
Correct and complete molecule and atom identifiers of entries of the target databases:
You can query a rigistry ID of the processed databases and see ALATIS results. If you need the complete set of the processed data of any of our target databases, please contact Hesam Dashti (firstname.lastname@example.org).
The search term is prefilled by the PubChem ID 3362,
you can try one of BMRB ID's (e.g. write bmse000001),
HMDB ID's (e.g. write HMDB00002), or
PDB RCSB Ligand-Exp ID's (e.g. write 0AL).
Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "
Unique identifiers for small molecules enable rigorous labeling of their atoms", in press , 2017. Nat. Sci. Data
ALATIS is available to the public as a web-service via our
and also through the NMRBox virtual machine. The custom source code, developed using the academic license of MATLAB® in the
Linux environment (MATLAB® 2016a for CentOS 6.5). This work is copyrighted under the terms of GPL. 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 ALATIS publication
The input/output file formats to ALATIS are Mol V2000 and its corresponding SDF. Other acceptable input/output file formats of this website are provided by utilizing
the academic version of
ChemAxon software package, meaning this web-server is only for non-commercial research or educational purposes.
When you use these additional file formats, please also acknowledge ChemAxon by including: "Marvin was used for drawing, displaying and characterizing chemical structures,
substructures and reactions, Marvin 16.7.11, 2016, ChemAxon (http://www.chemaxon.com)".
Marvin acknowledgement was extracted from here on March 2017.