SASA Kazuhiro, MURATA Kazunori, UNO Takeshi, HAYASHI Haruhisa, NAKANO Hidehiko
Journal of Computer Chemistry, Japan, 4(3) 119-126, Sep 15, 2005 Peer-reviewed
"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.