python生成化学结构_用PyMOL制作分子结构图像及所用脚本

信息来源

PyMol is one of the best open source software for visualizing the bio-molecules. Still many computational chemists, don’t use it for day -to-day modelling or for generating a high quality images and animations, partly because other software (such as Molden, Gaussview) can generate figures very easily although with not such a good quality and with limited number of representations. I was one among them, so I thought of exploring it and infact stunned by the abilities of Pymol. In this post I will be presenting a code to generate an animated gif and a high quality ray-traced png file.

The best way I found to deal with not so friendly Pymol is through its command line interface. All the commands should be placed in commands.pml file and then it should be run using the following command.

pymol -c commands.pml

原博客作者似乎是错的？

要在PyMOL的命令行中用‘‘@commands.pml"才能运行。

安装下载

用Linux和McOS的都