Professor David Avnir’s laboratory at Hebrew University’s Institute of Chemistry focused its research on molecular Chirality and symmetry. A central aspect of our research in these areas has been the promotion of the concept that symmetry and chirality are continuous quantitative structural properties which can be measured and correlated with other chemical and physical properties. This is the main concept of the Continuous Symmetry Measure (CSM), the Continuous Chirality Measure (CCM) and the Continuous Shape Measure (CShM).
The Research Software Company worked with Professor Avnir and Inbal Tuvi Arad of The Open University of Israel to improve their measurement tools. The project included maintaining and enhancing development of the CSM calculation software developed at Hebrew University’s Institute of Chemistry.
The original program was written in C++. The new version is implemented in Python/Cython and is significantly faster due to algorithmic improvements that were not feasible in the old C++ code.