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Chemcraft can calculate root-mean-square distances between the Cartesian coordinates of two molecular structures ("Tools/RMS compare structures" menu item, see here). Besides that, the program can merge multiple structures to allow the user to visually see the difference between them.
Chemcraft can convert fractional coordinates, used in crystallographic measurements, into Cartesian ones. For details see here.
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 molecule can be also rotated/translated using buttons on the toolbar to the right of the main window and keys Num1-Num9. One can alter the point which the molecule rotates around, pressing button (see Interface notes). Pressing Shift with Num1-Num9 slowly rotates/translates the molecule.
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