四、在af中使用pymol(一)conda下的pymol安装和创建桌面图标 |
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(一)conda下的pymol安装 1、linux下的安装 配置环境 source /appsnew/source/Anaconda3-2022.05-local.sh 创建虚拟环境 conda create -n yourpymol2.5 激活虚拟环境 conda activate yourpymol2.5 注意,我们在系统里使用了 alphafold2.3的虚拟环境,所以后面使用conda activate alphafold2.3,里面含有pymol2.5 安装pymol2.5版本 conda install -c schrodinger -c conda-forge pymol或安装pymol2.4等版本 conda install -c schrodinger pymol-bundle 退出虚拟环境: conda deactivate conda deactivate 第一次退出yourpymol2.5;第二次退出 Anaconda3 原文:https://pymol.org/conda/ PyMOL 2.5 and later (Updated August 20, 2021) Since PyMOL 2.5, our pymol conda packages are based on conda-forge. The following command will install PyMOL on Windows, macOS or Linux into a conda environment: conda install -c conda-forge -c schrodinger pymol-bundlemacOS SpecificsOn macOS, you need this command in addition: pip install PyQt5Previous versionsFor PyMOL 2.0 to 2.4, this command should be sufficient: conda install -c schrodinger pymol2、安装桌面图标 1)激活环境 [chen@login29 ~]# source /appsnew/source/Anaconda3-2022.05-local.sh(base)[chen@login29 ~]$conda activate pymol2.5(pymol2.5)2)查找pymol 图标文件 (base)[chen@login29 ~]$conda activate pymol2.5 (pymol2.5) which pymol/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/bin/pymol(pymol2.5) find /appsnew/usr/python/Anaconda3-local/envs/pymol2.5/ -iname *png/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/lib/tk8.6/demos/images/earthmenu.png/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/lib/tk8.6/demos/images/ouster.png/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/lib/python3.8/idlelib/Icons/idle_16.png/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/lib/python3.8/idlelib/Icons/idle_256.png/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/lib/python3.8/idlelib/Icons/idle_32.png/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/lib/python3.8/idlelib/Icons/idle_48.png/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/share/pymol/data/openvr/hints_vive_controller.png/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/share/pymol/data/openvr/menu_splash.png/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/share/pymol/data/pymol/icons/icon2_128x128.png/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/share/pymol/data/pymol/icons/icon2_16x16.png/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/share/pymol/data/pymol/icons/icon2_32x32.png3)将上面查找的结果,填入红色字体部分 chen@login29 ~]# vi ~/桌面/pymol2.5.desktop[Desktop Entry]Type=ApplicationGenericName=pymolComment=ThunderbirdMail:The Language of Technical ComputingExec=/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/bin/pymolIcon=/appsnew/usr/python/Anaconda3-local/envs/pymol2.5/share/pymol/data/pymol/icons/icon2_128x128.pngTerminal=falseCategories=GNOME;GTK;Graphics;Scanning;Name=pymolName[zh_CN.UTF-8]=pymol结构软件Name字段分别对应的只英文和中文 4)点击桌面图标: 5)激活: 获取激活码 :https://pymol.org/edu/index.php 北极星集群激活文件在:/appsnew/mdapps/pymo.lic 注意禁止拷贝,禁止使用在商业或者其它盈利活动中 选择激活文件 激活成功如下图,使用日期到2023年12月1日 如果需要创建公共图标,参考以下链接: http://211.103.179.18:8085/clshpc/quession/shownews.php?id=131 http://211.103.179.18:8085/clshpc/quession/shownews.php?id=129 |
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