COSMOconf

A flexible conformer generator for COSMO-RS

COSMOconf is a flexible tool box for conformer generation. It enables you to use pre-defined procedures that are optimized for the generation of the most relevant conformers for COSMO-RS.

Based on a unique computational approach, COSMOconf reduces the vast conformational space to a small set of relevant conformations. Unlike most other conformational generators, it is designed to find the relevant conformations in the gas phase, and polar and non-polar solvents.

Benefits

  • Obtain optimal conformer sets for COSMOtherm
  • Straightforward usage for non-experts - no quantum chemistry knowledge required
  • Flexible modular toolbox for experts