gOpenMol version 3.00

时间:2009-03-17 07:35 来源:gopenmol 作者:gopenmol 点击:次

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文件类型 内容：
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.zip

语言内容：
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英文

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国外软件

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免费版

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Win9x/NT/2000/XP/Vista

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官方网址 内容：
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演示网址 内容：
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http://www.csc.fi/gopenmol/

软件大小 内容：
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27243KB

软件地址 内容：
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本地下载

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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。

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