1.下载开源版
本次下载python为官网python3.11.5
进入Unofficial Windows Binaries for Python Extension Packages网站https://www.lfd.uci.edu/~gohlke/pythonlibs/https://www.lfd.uci.edu/~gohlke/pythonlibs/
下载与所安装的python版本相应pymol的whl文件包:
1.numpy+mkl安装包:
- numpy‑1.22.4+mkl‑cp311‑cp311‑win_amd64.whl
2.Pymol软件包:
- pymol‑2.6.0a0‑cp311‑cp311‑win_amd64.whl
3.pymol_launcher安装包:
- pymol_launcher‑2.5‑cp311‑cp311‑win_amd64.whl
4.
- Pmw‑2.0.1‑py3‑none‑any.whl
注解:
numpy‑1.14.6+mkl‑cp27‑cp27m‑win_amd64.whl代表python2.7 64bit的python和系统
我下载的是python3.11版本,win系统为64位,因此下载为:
numpy‑1.22.4+mkl‑cp311‑cp311‑win_amd64.whl
2.在anaconda创建虚拟环境
conda create -n pymol python=3.11
激活
conda activate pymol
3.进行安装
(pymol) D:\WorkSoftware\Anaconda3\envs\pymol>python.exe -m pip install C:\Users\TX\Downloads\numpy-1.22.4+mkl-cp311-cp311-win_amd64.whl
(pymol) D:\WorkSoftware\Anaconda3\envs\pymol>python.exe -m pip install C:\Users\TX\Downloads\pymol-2.6.0a0-cp311-cp311-win_amd64.whl
(pymol) D:\WorkSoftware\Anaconda3\envs\pymol>python.exe -m pip install C:\Users\TX\Downloads\Pmw-2.0.1-py3-none-any.whl
此时为pymol1界面
pip3 install PyQt5
此时会变成pymol2界面 。
4.安装完毕