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XmMol: an X11 and motif program for macromolecular visualization and modeling
1Unité de Recherches Biomathématiques et Biostatistiques, U 263 INSERM, Université Paris 7, France.
Journal of Molecular Graphics
|February 1, 1995
Summary
XmMol offers interactive molecular graphics and easy integration with external programs. This desktop tool enhances macromolecular visualization with advanced display features and supports custom development for numerical applications.
Area of Science:
- Computational chemistry
- Molecular modeling
- Scientific visualization
Background:
- Interactive molecular graphics tools are essential for understanding macromolecular structures.
- Existing software often lacks flexible integration capabilities with external numerical programs.
Purpose of the Study:
- To introduce XmMol, a versatile desktop tool for interactive molecular graphics.
- To enable seamless interfacing between molecular visualization and external computational applications.
Main Methods:
- Development of a core kernel for interactive wire-frame display of macromolecules.
- Implementation of features such as depth cueing, 3D clipping, stereo viewing, and various representation modes.
- Integration of docking and backbone deformation tools.
- Establishment of communication protocols for external application integration.
Main Results:
- XmMol provides an interactive wire-frame display with advanced visualization options.
- The tool supports molecular docking and backbone deformation.
- Flexible communication protocols facilitate the development of new features and integration with external numerical programs.
Conclusions:
- XmMol is a powerful and flexible tool for macromolecular visualization.
- Its design promotes extensibility and integration with diverse computational workflows.
- XmMol enhances the capabilities of researchers in molecular modeling and computational chemistry.