gopenmol

王朝百科·作者佚名  2010-06-15  
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gOpenMol是一个显示并分析分子结构及其特性,计算分子轨道、电子势的软件包,支持多种分子结构格式,包括PDB格式。

gOpenMol is a tool for the visualization and analysis of molecular structures and their chemical properties. The program uses Tcl/Tk scripting engine and can thus be easily extended without modifying the kernel code. gOpenMol can also be extended by writing extensions using sharable objects (Linux/Unix) and dynamic data exchange (Windows) modules. Moreover there is a set of programs and utility functions included in gOpenMol.

gOpenMol can be used for the display and analysis ofmolecular structures and properties calculated with external programs,

molecular dynamics trajectories,

isocontour surfaces of grid data, such as molecular orbitals and electron densities.

cut planes through grid data sets, and it can also be used to make short animations where a cut plane travels through a molecule grid data.

The program can also be used together with electrostatic potentials from programs like GaussianXX, GAMESS Jaguar, UHBD (University of Houston Brownian Dynamics), AutoDock and the GRID programs.

 
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