Back to search

RNDr. Pavel Troubil, Ph.D.

Bachelor's thesis

Implementace a paralelizace metod studia molekulové flexibility

Implementation and Parallelization of Method for Molecular Flexibility Study
Abstract:
The Panic99 implements molecular flexibility analysis method described in (Jaroslav Koča. Potential Energy Hypersurface and Molecular Flexibility. Journal of molecular structure, 291(2-3):255-269, 1993.). The aim of this thesis was to reimplement the method in C++ language to improve source code maintainability and readability, and parallelize the source code. The emphasis was placed on the highest …more
 

Keywords

computational chemistry PANIC potential energy hypersurface (PES) conformational analysis molecular flexibility catchment regions K-barriers parallelization
 
Language used: English
Date on which the thesis was submitted / produced: 18. 5. 2007
Identifier: https://is.muni.cz/th/yv3vo/

Thesis defence

  • Date of defence: 19. 6. 2007
  • Supervisor: Mgr. Aleš Kosina

Citation record

Cite this text

Full text of thesis

Contents of on-line thesis archive
Published in Theses:
  • světu
Other ways of accessing the text
Institution archiving the thesis and making it accessible: Masarykova univerzita, Fakulta informatiky
Složka Reference to the local database directory of the institution

Masaryk University

Faculty of Informatics

Bachelor programme / field:
Informatics / Informatics

Theses on a related topic

List of theses with an identical keyword.
  • No theses on a related topic available.