pymol安装

最新推荐文章于 2025-04-17 16:03:13 发布

A Dluter

最新推荐文章于 2025-04-17 16:03:13 发布

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本文链接：https://blog.csdn.net/li1guangjun/article/details/123737207

本文详细介绍了如何使用Anaconda在Windows环境下安装PyMOL开源版的过程。首先创建了一个Python 3.8的环境，然后安装了必要的依赖包如PMW和numpy，并最终成功安装和启动了PyMOL。

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pymol 有开源版的，今天记录一下自己安装过程：

先安装Anaconda，从网址下载后，直接安装就行；
等anaconda安装好后，创建python38的环境，安装pymol；win+R 打开win的命令行：

#####
Microsoft Windows [版本 10.0.19043.1586]
(c) Microsoft Corporation。保留所有权利。

C:\Users\86183> conda create -n python38 python=3.8
........
........	#输入 y 就会安装程序包
done
#
# To activate this environment, use
#
#     $ conda activate python38
#
# To deactivate an active environment, use
#
#     $ conda deactivate

C:\Users\86183>conda info -e
# conda environments:
#
base                  *  D:\software\anaconda
python37                 D:\software\anaconda\envs\python37
python38                 D:\software\anaconda\envs\python38		# 看到python38的环境已经装好了

C:\Users\86183>conda activate python38		# 输入conda activate python38 就可激活python38的环境

(python38) C:\Users\86183>

下载pymol开源版程序
Pymol网址下拉到pymol-open-source这一行，下面都是pymol的开源版本，我下载的是pymol-2.4.0-cp38-cp38-win_amd64.whl，把下载好的pymol-2.4.0-cp38-cp38-win_amd64.whl放到C:\Users\86183 文件夹下

在python38环境下安装pymol

# 先安装PMW
(python38) C:\Users\86183>python -m pip install pmw
Collecting pmw
  Using cached Pmw-2.0.1.tar.gz (830 kB)
Building wheels for collected packages: pmw
  Building wheel for pmw (setup.py) ... done
  Created wheel for pmw: filename=Pmw-2.0.1-py3-none-any.whl size=544948 sha256=564aac9618ebc80b5491b7389970097171014df988651cc7e4273c1a9c676a83
  Stored in directory: c:\users\86183\appdata\local\pip\cache\wheels\e5\05\07\3a57b238eb140c7b6283307fc7be47589607ddf16f156fa014
Successfully built pmw
Installing collected packages: pmw
Successfully installed pmw-2.0.1		# 成功安装PMW
# 安装numpy
(python38) C:\Users\86183>conda install numpy
# 安装pymol
(python38) C:\Users\86183>python -m pip install pymol-2.4.0-cp38-cp38-win_amd64.whl
Processing c:\users\86183\pymol-2.4.0-cp38-cp38-win_amd64.whl
Requirement already satisfied: Pmw in d:\software\anaconda\envs\python38\lib\site-packages (from pymol==2.4.0) (2.0.1)
Requirement already satisfied: numpy in d:\software\anaconda\envs\python38\lib\site-packages (from pymol==2.4.0) (1.21.5)
Installing collected packages: pymol
Successfully installed pymol-2.4.0
# 这里pymol 安装完成
(python38) C:\Users\86183>pymol		# 输入pymol就可启动pymoL,如下图所示

在这里插入图片描述