Development of RYUGA for three-dimensional dynamic visualization of molecular dynamics results

Ryuji Miura, Hideo Yamano, Ryo Yamauchi, Masahiko Katagiri, Momoji Kubo, Rajappan Vetrivel, Akira Miyamoto

Research output: Contribution to journalArticlepeer-review

49 Citations (Scopus)

Abstract

We have developed a new computer graphics (CG) code RYUGA for three-dimensional dynamic visualization of molecular dynamics (MD) results. The applicability of RYUGA for visualizing and analyzing the dynamics of atomic motions in various materials was demonstrated. RYUGA supports various functions, such as solid-modeling CG pictures (called the CPK model), CG animation of the MD results, Miller plane cutting of crystal structures, building graphs, etc., similar to other CG codes for MD simulation. In addition, RYUGA has a number of advantages as follows: (i) a perspective is employed for drawing CG pictures, (ii) three-dimensional trajectories of atoms can be constructed, (iii) an operator can travel inside the materials, (iv) graphic speed and animation speed are enhanced because of the specific algorithms, and (v) it works on any workstations, moreover even personal computers with a UNIX operating system and an X window system are available.

Original languageEnglish
Pages (from-to)409-416
Number of pages8
JournalCatalysis Today
Volume23
Issue number4
DOIs
Publication statusPublished - 1995 Apr 7

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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