产品规格：
产品数量：
包装说明：
关 键 词：Chemcraft功能
行 业：IT 软件 数据库及中间件
发布时间：2021-11-03
科学软件网提供的软件上千款，涉及所有学科领域，您所需的软件，我们都能提供。科学软件网提供的软件涵盖领域包括经管，仿真，地球地理，生物化学，工程科学，排版及网络管理等。同时，还提供培训、课程（包含34款软件，66门课程）、实验室解决方案和项目咨询等服务。
- Different tools for constructing molecules and modifying molecular geometry: using standard molecular fragments, "dragging" atoms or fragments in the molecule's image, utility for setting a symmetry point group, and other possibilities;
- Producing publication-ready images of molecules in customizable display modes, containing required designations (labels, lines, etc.);
- Some additional utilities for preparing input files: construction of Z-matrices, automatic generation of input files with non-standard basis sets, converting MOs read from an output file into the format of input file.
能量梯度可以以指针的形式显示（图2）；
不同的原子属性可以以标签的形式显示：Mulliken种群和电荷、自旋密度、价态；
键序（以标签的形式显示在结合物上）；
分子轨道可视为等值面或彩色平面；
振动模式可以动画或以指针的形式（位移矢量）显示；
The menu items "Edit/Set point group" allow a specified point group to be easily applied to the molecule, if its geometry is satisfactorily close to the required symmetry.
The "Tools/Build Z-matrix/" menu item allows one to obtain a Z-matrix in text format by clicking atoms in current structure and specifying some additional information (e.g., whether current parameter is an angle or a dihedral). Before using this utility one should preliminarily obtain the structure of the molecule in Cartesian coordinates. For more details, see here
科学软件网不定期举办各类公益培训和讲座，让您有更多机会免费学习和熟悉软件。
