TAO: 为蛋白质运行ONIOM计算
本文为初次使用TAO运行ONIOM计算的杂记
A toolkit to assist ONIOM calculations
https://doi.org/10.1002/jcc.21524
http://chem.wayne.edu/schlegel/Software/oniomtoolTAO/TAOtutorial.html
Progdyn2017的部署与使用
This article is locked. This might include some personal or unpublished info.
Read morePoint Mutation - residue swap
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GSM on hoffman2
Reference:
wiki from the developer (https://github.com/ZimmermanGroup/molecularGSM/wiki)
Tiptorial form Tyler Benton (On Hof2: /u/project/houk/tylerben/shared/GSM/readme.txt)
Tutorial from the Zimmerman Group (https://sites.lsa.umich.edu/zimmerman-lab/tutorial/surface-growing-string-method/)
Personal notes on using GSM with different software on hoffman2.
Utilize Orbital Overlap with Multiwfn
Using the overlap integral function in Multiwfn with some potential usages.
Problem of hexo encrypt with http
“为网站安装安全证书解决hexo-blog-encrypt插件无法使用的问题”
PyMol Orbital Visualization
Notes for a Houk Group style molecular orbital visualization in PyMol