Technical Reports

A List by Author: Ale¹ Køenek

e-mail:

ljocha(a)fi.muni.cz

home page:

https://www.fi.muni.cz/~ljocha/

Haptically Driven Travelling Through Conformational Space

by Igor Peterlík, Ale¹ Køenek, This report is an extended version of a~paper accepted for presentation at the First Joint Eurohaptics Conference and Symposium on Haptic Interfaces for Virtual Environment and Teleoperator Systems, Pisa, Italy, 2005. January 2005, 22 pages.

FIMU-RS-2005-02. Available as Postscript, PDF.

Abstract:

After reviewing our generic framework of building haptic interactive models of environments which are computationally very expensive (so that their simulation cannot be used directly) we describe in detail the deployment of the framework in modelling conformational behaviour of flexible molecules. We conclude with description of first practical results which prove correctness of our approach, and shift the whole research towards more realistic applications.

An Algorithm on Interpolating between Two Shapes of a Molecule

by Ale¹ Køenek, Accepted for the SCCG`97 in Bratislava. May 1997, 10 pages.

FIMU-RS-97-04. Available as Postscript, PDF.

Abstract:

Conformational behaviour analysis produces a sequence of shapes of a molecule which are only the key points on the entire path. They differ from one another significantly and an interpolation is necessary to achieve a smooth visualization. However, standard interpolation techniques cannot be used. We introduce a hypothesis on the nature of the shape changes and derive an interpolation algorithm. Conditions required for proper function as well as some ideas how to overcome the algorithm`s drawbacks are presented.