Development of Modrast-P with GTK+

Kazuhiro SASAa*, Kazunori MURATAa, Takeshi UNOb, Haruhisa HAYASHIc and Hidehiko NAKANOa

aDepartment of Materials Science and Chemistry, Graduate School of Engineering, University of Hyogo
2167 Shosha, Himeji, Hyogo, 671-2201, JAPAN
bDepartment of Management and Information Sciences, Hiroshima Prefectural University
562 Nanatuka, Shobara, Hiroshima, 727-0023, JAPAN
cLibrary and Academic Information Center, University of Hyogo
2167 Shosha, Himeji, Hyogo, 671-2201, JAPAN

(Received: March 11, 2005; Accepted for publication: August 12, 2005; Published on Web: September 12, 2005)

"Modrast-P", which we have developed, has distinctive functions for displaying molecular models, especially, the capacity to display models clipped by single or double plane(s). This function is useful to show inner structures of inclusion complexes or active sites of bio-molecules, which are otherwise hidden by outer parts of molecules. However, Modrast-P was dependent on hardware and OS, so we improved this program using GTK+, which was one of the toolkits of the X Window System, and named it "Modrast-P with GTK+". For the clipping function, the operations to specify the clipping plane are facilitated with GUI (graphical user interface). In addition, some useful functions such as animation and numerical analysis for results of Molecular Dynamics (MD) simulation with AMBER have been implemented.

Keywords: Molecular Graphics, Clipped molecular model, GTK+, AMBER


Abstract in Japanese

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