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.
Plugins
gOpenMol accepts plugins that are implemented through a dll file (Windows) or sharable object (Unix/Linux). Following a list of available plugins.
- Module: VRML, outputs ball-and-stick, CPK, and licorice views. Simple stick can be selected, which is a variation of licorice and trajectories with start/stop animation.
Author: Kevin Boyd, University of New Orleans
Link:
Status: Included with the program. - Module: Filters, are input coordinate filters for binary Chem3D and Spartan data files.
Author: Kevin Boyd, University of New Orleans
Link:
Status: Included with the program. - Module: Ball, is a demo on how to implement a plugin that displays a sphere in the gOpenMol graphics window.
Author: Eero Häkkinen, CSC
Link: The source code is in the src/plugins/ball directory.
Status: Included with the program.
Installation of gOpenMol
NB: Make sure that the name of the directory where you install gOpenMol does not have spaces!
Windows version
- Create a directory, for example, gopenmol.
- Download the zip file to your temp directory.
- Unzip the files into the gopenmol directory.
- Go into the directory gopenmol and click the icon install.bat
- Run program by clicking the icon rungOpenMol.bat in the directory ..\gopenmol\bin
- You can make a short cut from the file rungOpenMol.bat to your Desktop the way you usually make short cuts in Windows.
Other versions
- Download and uncompress the tar file.
- Untar the file (creates gopenmol/..)
- Go into the directory gopenmol and type: ./install
- Run program through the script 'your_directory_structure/gopenmol/bin/rungOpenMol'
If you have an 8 bit display, define:
setenv MESA_RGB_VISUAL "PseudoColor 8"
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。程序运行需要安装TCL软件，7.5M。详细的使用手册，PDF格式，1M。