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[ 源代码: ch5m3d  ]

软件包:ch5m3d(1.2.5+dfsg-2)

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create and visualize 3-dimensional drawings of simple molecules

This program provides a web interface which has been developed to allow users to create and visualize 3-dimensional drawings of simple molecules without requiring the download of any additional software. In addition to creating structures, users can also load existing XYZ formatted files (such as those generated by Open Babel) containing 3-dimensional coordinates.

Once molecules are created or read from a file, users can examine geometry information (bond lengths, angles, and dihedral angles) and modify these structures. Routines to perform a crude geometry optimization and a simple calculation of atomic charges are also available.

This web interface relies on HTML5 (in particular, the HTML5 Canvas), and as such requires a modern web browser to run. The advantage of this approach is the no additional plugins or Java is required to use this program. Support for mobile devices is currently only partially implemented, but is planned to be included in future versions.

标签: 领域: 结构生物学, 化学, 实做语言: implemented-in::ecmascript, interface::web, 角色: 插件, 程序, Purpose: use::learning, use::viewing, 处理: 3D 模型

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