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项目描述

Viewmol is a program for building and editing molecules as well as for the visualization of outputs from quantum chemical and molecular mechanics programs. Currently supported are Gaussian 9x, Gamess, Discover, DMol/DSolid/DMol3, Gulp, Mopac, Turbomole, and PDB files. Properties visualized include geometry (with various drawing modes), vibration (animated or with arrows), optimization history/MD trajectories, MO energy level diagram, MOs, basis functions, and electron density. Drawings can be saved as TIFF, HPGL, Postscript, and input files for Rayshade. Viewmol has an embedded Python interpreter for automation. The program is language independent and currently "speaks" English, French, German, Russian, or Spanish.

系统要求

System requirement is not defined
Information regarding Project Releases and Project Resources. Note that the information here is a quote from Freecode.com page, and the downloads themselves may not be hosted on OSDN.

2004-11-16 21:05
2.4.1

此版本增加了对高斯支持03的产出,(部分)支持土耳其,并在资源delay选项来控制动画的速度。对保存图像坠毁已得到修复。关于libcxa.so依赖已被删除。
标签: Minor bugfixes
This release adds support for Gaussian 03 outputs, (partial) support for
Turkish, and a delay option in resources to control animation speed. The
crash on saving images has been fixed. The dependency on libcxa.so has
been removed.

2003-11-12 17:45
2.4

打开炮弹见上和Turbomole产出现在支持。周期波功能也支持。能够读取数据和可视化网格他们,西洋参茎叶皂甙的产出看,阅读定义单位布拉菲基质细胞,生成高斯输入文件,并能保存为PNG文件和Postscript位图图纸已被添加。通过脚本来设置用户界面原子的颜色和执行UFF结构优化使用Turbomole的UFF模块被列入。 Python脚本现在可以安装在自己的菜单。 Mac OS X是现在支持的平台。
标签: Major feature enhancements
Open shells in Gamess and Turbomole outputs are
now supported. Periodic wave functions are also
supported. The ability to read grid data and
visualize them, to read PQS outputs, to read the
Bravais matrix for defining unit cells, to
generate input files for Gaussian, and the ability
to save drawings as PNG files and Postscript
bitmaps have been added. Scripts to set atom
colors through the user interface and to perform
UFF geometry optimization using Turbomole's UFF
module have been included. Python scripts can now
install themselves in a menu. Mac OS X is now
supported as platform.

2001-01-30 15:14
2.3

此版本包括一个嵌入式Python解释器,热力学性质的分子和它们之间的反应,固体米勒飞机的计算显示,重新设计的分子运动(不超过分子固定的坐标系统),对OpenGL / X窗口集成,很多变化修正版,并输入滤波器见上。用户界面被tranlated成西班牙文。
This release includes an embedded Python interpreter, calculation of thermodynamic properties for molecules and reactions between them, display of Miller planes for solids, reworked moving of molecules (no more molecule fixed coordinate system), changes to the OpenGL/X Windows integration, a lot of bug fixes, and an input filter for Gamess. The user interface has been tranlated into Spanish.

2001-01-30 15:14
2.2.1

该版本修正错误,因为2.2版本的发现,增加了可改变一个在飞行分子范德华半径(因此连接)。 Optmization历史/ MD轨迹现在可以动画,绑定和KDE的图标格式的分子建模知道还提供。
This version fixes bugs discovered since version 2.2 and adds the
ability to change Van der Waals radii (and therefore connectivity) of
a molecule on the fly. Optmization histories/MD trajectories can
now be animated, bindings and icons to KDE aware of molecular
modeling formats have also been provided.

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