使用期限租赁版
许可形式单机版
原产地美国
介质下载
适用平台Windows
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The "Edit/Drag atoms" menu item or button allows the atoms in the molecule's image to be moved using the mouse. When dragging an atom one can move it in the Z direction (in parallel with the view) using the keys Num2/Num8 (while the left mouse button is pressed). The buttons , , switch between "drag atoms", "drag fragments" and "drag molecules" modes, the latter two modes allow one to drag and rotate groups of several atoms (for details, see Constructing molecules). When a group of atoms is dragged, the buttons Num1-Num9 rotate it or move it in the Z direction.
![Chemcraft正版软件正版](//l.b2b168.com/2019/07/18/10/201907181030450295824.jpg)
Chemcraft provides the possibility to make files for running multiple jobs ("Tools/Scripts/" menu items).
![Chemcraft正版软件正版](//l.b2b168.com/2020/06/18/15/202006181534419872064.jpg)
The program combines advanced graphical user interface and wholesome features designed for practical use. Chemcraft provides very detailed structured visualization of output files, based on dividing a file into separate elements and presenting them in an hierarchical multi-level list; this feature allows one to easily analyze complicated files, such as scan jobs, IRC jobs, or multi-job calculations. The graphical engine of Chemcraft does not require any hardware acceleration.
![Chemcraft正版软件正版](//l.b2b168.com/2019/07/19/15/201907191511159579354.jpg)
与其他格式一起工作
除了Gamess-US, Gaussian 和ADF文件,Chemcraft可以读取NWChem、Jaguar、Oraca、Dalton、GAMESE-UK、Turbomole、MMOPRO和QChem输出文件、HyperChem文件、MSI或PDB格式的文件(这些格式未被全面支持)和MolDraw and Priroda程序格式、NBO格式(.31-.40文件)、Molden文件、MFJ、SDF和Tinker、Crystal文件、VASP和Shellx文件、晶体学CIF文件和简单的文本文件与原子的Cartesian坐标。Chemcraft提供了一个通过剪贴板导入/导出文本格式的原子坐标的接口,这有助于使用任何类型的计算数据。将原子坐标导出到剪贴板中对于快速创建输入文件也是有用的。Chemcraft包含一个分数坐标转换的功能,用于晶体学测量和Cartesian,反之亦然,用于单数(a,b,c等)。
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