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标题:
请问这个avgadro里面支持packmol的GUI插件要如何安装
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作者Author:
neocc
时间:
2022-3-7 11:21
标题:
请问这个avgadro里面支持packmol的GUI插件要如何安装
本帖最后由 neocc 于 2022-3-7 11:22 编辑
请问这个avgadro里面支持packmol的GUI插件要如何安装??
https://github.com/timvdm/Avogadro-Packmol-Extension
http://timvdm.blogspot.com/search?q=packmol&m=1
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操作界面有点像ms的ac模块,有大致的密度估计,做溶液比较方便
GitHub - timvdm/Avogadro-Packmol-Extension: An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.
GEMS-Pack: A Graphical User Interface for the Packmol Program | Journal of Chemical Information and Modeling
https://pubs.acs.org/doi/abs/10.1021/acs.jcim.9b00740
这玩意画个大饼,又不公开。
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