UNICON

Overview

UNICON is a command-line tool to solve typical cheminformatics tasks. The functionality of UNICON ranges from file conversion between standard formats SDF, MOL2, SMILES, and PDB via the generation of 2D structure coordinates and 3D structures (Conformator) to the enumeration of stereoisomers, tautomeric forms, protonation states, and conformer ensembles. Users can split and convert small molecule files with high confidence.

Limitations

UNICON is developed for organic compounds only. Any inorganic molecules or metallo-organic compounds are not supported.

Software Availability

UNICON is freely available for non-commercial and academic users for Linux, macOS, and Windows as part of our NAOMI ChemBio Suite. To download UNICON, register at https://software.zbh.uni-hamburg.de. Non-academic users can get an evaluation license free of charge. Only minimal setup steps are required to run UNICON. All feedback (software.zbh(at)uni-hamburg.de) is highly appreciated.

References

Sommer, K.; Friedrich, N. O.; Bietz, S.; Hilbig, M.; Inhester, T.; Rarey, M. UNICON: A Powerful and Easy-to-Use Compound Library Converter. J Chem Inf Model 2016, 56 (6), 1105-1111. DOI: https://doi.org/10.1021/acs.jcim.6b00069