It is crucial to know conformational behavior of small and middle-sized organic molecules. This knowledge can simplify exploration of these molecules' interactions with large molecular complexes, in which they can act as drug or biochemical catalyst.

Molecular flexibility is one of dimensions which can be used to describe a molecular behavior. This value quantifies the molecular rigidity describing a number of potential molecular conformations and easiness of mutual inter-conversions between these conformations.

• Research on methods for biologically interesting molecules analysis, especially SCD method implemented by the CICADA program.
• Research on PES stationary classification methodology and molecular flexibility computation methodology.
• Implementation of algorithms for PES stationary points classification and molecular flexibility computation.
• Algorithm parallelization for SMP architecture (e. g. using OpenMP).

• Well documented program, which fulfils the requirements. The program will be implemented in C, C++ or Fortran.