<分区>
XYZ 文件指定原子及其笛卡尔坐标。
示例 XYZ 文件:
[Number of atoms]
Comment
[Chemical symbol] [X] [Y] [Z]
我想知道 JMol 中使用的单位是什么(即埃或玻尔半径)
<分区>
XYZ 文件指定原子及其笛卡尔坐标。
示例 XYZ 文件:
[Number of atoms]
Comment
[Chemical symbol] [X] [Y] [Z]
我想知道 JMol 中使用的单位是什么(即埃或玻尔半径)
最佳答案
The units are generally in ångströms
The XYZ file format is a chemical file format. There is no formal standard and several variations exist, but a typical XYZ format specifies the molecule geometry by giving the number of atoms with Cartesian coordinates that will be read on the first line, a comment on the second, and the lines of atomic coordinates in the following lines.
The file format is used in computational chemistry programs for importing and exporting geometries.
The units are generally in ångströms.
关于java - JMol XYZ 的单位，我们在Stack Overflow上找到一个类似的问题： https://stackoverflow.com/questions/24916348/