The most appropriate representation of molecular surfaces in many
(bio)chemical applications is a continuous envelope in contact with
the atoms that are accessible to solvent. In cooperation with the
Research Institute of PLIVA, pharmaceutical company, I developed a
code RAYCUB for analytical calculation and visualization of this
surface based on the improved algorithm described by
Connolly,M.L. J.Appl.Cryst. 1983,16,548-558.
The code has been successfully applied in their research
studies, as well as several other research groups.
For that work, I received the Rector's Prize for one of the best student
projects in 1994 at the University of Zagreb.
Geometrical components of a solvent accessible molecular surface.