<?xml version="1.0" encoding="utf-8" ?><rss version="2.0"><channel><title><![CDATA[utf_8__的博客]]></title><description><![CDATA[]]></description><link>https://blog.youkuaiyun.com/utf_8__</link><language>zh-cn</language><generator>https://blog.youkuaiyun.com/</generator><copyright><![CDATA[Copyright &copy; utf_8__]]></copyright><item><title><![CDATA[Rocky Linux 9 安装Vina-GPU-2.1加速对接]]></title><link>https://blog.youkuaiyun.com/utf_8__/article/details/154793597</link><guid>https://blog.youkuaiyun.com/utf_8__/article/details/154793597</guid><author>utf_8__</author><pubDate>Thu, 13 Nov 2025 19:42:34 +0800</pubDate><description><![CDATA[将 ./input_file_example/2bm2_config.txt中的opencl_binary_path更改为可执行文件的路径。写入路径：export LD_LIBRARY_PATH=/path/to/boost/lib:$LD_LIBRARY_PATH。4. 安装Vina-GPU-2.1。6. 进一步缩短对接时间。]]></description><category></category></item><item><title><![CDATA[安装autodE和MORFEUS计算分子描述符]]></title><link>https://blog.youkuaiyun.com/utf_8__/article/details/153203084</link><guid>https://blog.youkuaiyun.com/utf_8__/article/details/153203084</guid><author>utf_8__</author><pubDate>Mon, 13 Oct 2025 17:34:40 +0800</pubDate><description><![CDATA[2. 安装MORFEUS。1. 安装autodE。]]></description><category></category></item><item><title><![CDATA[Rocky Linux 9.4部署AlphaFold3开源版]]></title><link>https://blog.youkuaiyun.com/utf_8__/article/details/148762283</link><guid>https://blog.youkuaiyun.com/utf_8__/article/details/148762283</guid><author>utf_8__</author><pubDate>Thu, 19 Jun 2025 11:42:40 +0800</pubDate><description><![CDATA[AF3部署和使用


使用方法

AlphaFold 3 | e-Science Document   南京大学]]></description><category></category></item><item><title><![CDATA[Rocky Linux 9.4 系统以及计算软件安装]]></title><link>https://blog.youkuaiyun.com/utf_8__/article/details/142887250</link><guid>https://blog.youkuaiyun.com/utf_8__/article/details/142887250</guid><author>utf_8__</author><pubDate>Sat, 12 Oct 2024 21:56:36 +0800</pubDate><description><![CDATA[Rocky Linux9.4计算化学软件安装]]></description><category></category></item><item><title><![CDATA[CentOS7.7升级GCC版本]]></title><link>https://blog.youkuaiyun.com/utf_8__/article/details/140611642</link><guid>https://blog.youkuaiyun.com/utf_8__/article/details/140611642</guid><author>utf_8__</author><pubDate>Mon, 22 Jul 2024 15:42:16 +0800</pubDate><description><![CDATA[3、激活对应的devtoolset，所以你可以一次安装多个版本的devtoolset，需要的时候用下面这条命令切换到对应的版本。2、安装devtoolset，如果想安装8.*版本的，就改成devtoolset-8-gcc*，以此类推。1、安装centos-release-scl。4. 查看gcc版本。]]></description><category></category></item><item><title><![CDATA[CentOS7 yum报错( mirrorlist.centos.org)]]></title><link>https://blog.youkuaiyun.com/utf_8__/article/details/140399521</link><guid>https://blog.youkuaiyun.com/utf_8__/article/details/140399521</guid><author>utf_8__</author><pubDate>Sat, 13 Jul 2024 14:33:50 +0800</pubDate><description><![CDATA[【代码】CentOS7 yum报错( mirrorlist.centos.org)]]></description><category></category></item><item><title><![CDATA[antechamber sqm Error]]></title><link>https://blog.youkuaiyun.com/utf_8__/article/details/140228015</link><guid>https://blog.youkuaiyun.com/utf_8__/article/details/140228015</guid><author>utf_8__</author><pubDate>Sat, 06 Jul 2024 13:38:41 +0800</pubDate><description><![CDATA[分子的电子总数是奇数，而设置的净电荷为 0(中性的分子应该拥有偶数个电子)，导致电子总数与净电荷和自旋多重性设置不匹配。]]></description><category></category></item><item><title><![CDATA[安装开源版Pymol]]></title><link>https://blog.youkuaiyun.com/utf_8__/article/details/138043374</link><guid>https://blog.youkuaiyun.com/utf_8__/article/details/138043374</guid><author>utf_8__</author><pubDate>Sun, 21 Apr 2024 20:18:02 +0800</pubDate><description><![CDATA[可以卸载一下目前电脑里所有的Microsoft Visual C++ 2015，Microsoft Visual C++ 2015-2022 ，Microsoft Visual C++ 2015-2019。https://www.lfd.uci.edu/~gohlke/pythonlibs/    #pymol-open-source，可下载需要的.whl文件。如果安装Microsoft Visual C++ 2015-2022，仍然出现相同的报错信息，安装pyqt5时出现报错。]]></description><category></category></item><item><title><![CDATA[将本地文件上传到Github]]></title><link>https://blog.youkuaiyun.com/utf_8__/article/details/134083998</link><guid>https://blog.youkuaiyun.com/utf_8__/article/details/134083998</guid><author>utf_8__</author><pubDate>Fri, 27 Oct 2023 22:50:29 +0800</pubDate><description><![CDATA[向github上传本地文件]]></description><category></category></item><item><title><![CDATA[将jupyter notebook 远程服务器映射到本地]]></title><link>https://blog.youkuaiyun.com/utf_8__/article/details/132666640</link><guid>https://blog.youkuaiyun.com/utf_8__/article/details/132666640</guid><author>utf_8__</author><pubDate>Mon, 04 Sep 2023 12:32:33 +0800</pubDate><description><![CDATA[1. 生成jupyter notebook配置文件（终端输入命令）5.使用ssh将jupyter notebook 映射到本地。4. 重启jupyter notebook。]]></description><category></category></item></channel></rss>