RosettaCommons install

于玉琪 2020-3-19 23:52

1. download the source code rosetta*.tar.gz 2. decompress the package: tar -xvzd rosetta*.tar.gz 3. install the required library sudo apt-get install lib32z1-dev sudo apt-get install g++ sudo apt-get install zlib1g-dev 4. compile ./scons.py -j 20 mode=release bin eorrs t ...

个人分类: softwareInstallation|1831 次阅读|没有评论

Mendeley for inserting citations in paper

于玉琪 2020-3-19 07:24

Mendeley is availble for Linux, windows and Mac. It is free. For more citation styles, go to the link to download: https://csl.mendeley.com/searchByName/

个人分类: PaperWriting|1037 次阅读|没有评论

adjust screen brightness in Ubuntu

于玉琪 2020-3-19 05:31

get the name of your monitor xrandr | grep connected | cut -f1 -d adjust the brightness using command xrandr --output monitor's mame --brightness 0.75

个人分类: Linux|1046 次阅读|没有评论

Connect remote machine without typing password

于玉琪 2020-3-19 05:28

generate the key of your local machine ssh-keygen copy your public key to your remote machine using ssh-copy-id ssh-copy-id -i ~/.ssh/id_rsa.pub username@remoteIP login to remote machine sshusername@remoteIP

个人分类: Linux|1094 次阅读|没有评论

word2016合并单元格不显示内容也不能编辑的问题

于玉琪 2018-3-13 10:59

能妥善解决问题：https://jingyan.baidu.com/article/8275fc864c343946a03cf6c2.html

1950 次阅读|没有评论

ONIOM: Microiterations cycle 26 out of a maximum of 25

于玉琪 2018-2-4 12:39

用ONIOM优化时遇到： Microiterations cycle 26 out of a maximum of 25 ，maximum number of microiterations cycles exceeded! 解决方法： 1. 可以去一部分水再试。 另外整体结构可以先在UFF下优化，然后再尝试改用ONIOM；或者先尝试不用电子嵌入，优化成功了再开启 (来自计算化学公社) 2. Actually ...

个人分类: 量化|2999 次阅读|没有评论

选择小分子附近的完整残基

于玉琪 2018-1-31 14:26

VMD: same residue as within 5 of (resname atp)#选择完整残基 within 5 of (resname atp) #只选择附近原子 Pymol: select atp ,resn atp select v5, atp around 5 # 选择5A内的原子 ...

个人分类: 体系建立|3074 次阅读|没有评论

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