事情常常变化，首先参考php
https://pymolwiki.org/index.php/Windows_Installhtml
Open-Source PyMOL is available free of charge. It also allows sponsors to create highly customized PyMOL installations which might not be possible with the MSI installer.python
这里就不涉及了。git
Pre-compiled Open-Source PyMOL is available free from Christoph Gohlke of the Laboratory for Fluorescence Dynamics, University of California, Irvinegithub
这个是目前比较流行的安装方式。app
- Install Python 2.7 for Windows (e.g., by going to http://www.python.org/downloads/). Use the standard options (which should mean that the installation directory is C:\Python27). It may be useful if C:\Python27 is listed in your system PATH variable.
- Download the appropriate wheel files, along with all requirement wheel files (including pip, Numpy and PMW) into a single file directory, e.g.,
C:\PyMOL_installation
3.From this installation directory (to get there you can run工具
cd C:\PyMOL_installation
from the command prompt), run:ui
C:\Python27\python.exe pip-6.x.x-py2.py3-none-any.whl/pip install --no-index --find-links="%CD%" pymol_launcher
if C:\Python27 is part of your PATH variable, then running (where x refers to the version number of pip):this
python pip-6.x.x-py2.py3-none-any.whl/pip install --no-index --find-links="%CD%" pymol_launcher
python pip-6.x.x-py2.py3-none-any.whl/pip install --no-index --find-links="%CD%" pymol_launcher-2.1-XXXXXspa
should suffice. To update PyMOL update the files in the PyMOL install directory and run:
pip install --upgrade --no-deps pymol.whl
where pymol.whl is replaced by the PyMOL wheel file name (not the launcher, the launcher should not require updating).
E:\Anaconda3\Lib\site-packages\
有pymol，pymol2，pmw。
E:\Anaconda3下有：
PyMOL.exe
问题就是：高版本的pse，在低版本打不开。
pip uninstall pymol-launcher-2.1
pip uninstall pmol
pip uninstall pmw
版本3的有点问题，后来仍是装版本2的了。启动没有问题。可是因为以前有一个PyMOL.exe。
因此启动的时候会不太爽。修改成Pymol2.exe。就能够了。
Extend PyMOL with additional scripts
If you now want to extend the capabilities of PyMOL, and take advantage of all the available plugins+scripts "out there", then do the following.
- First install "numpy" as an available module to Python. Select appropriate installer from here
- Download the script/plugin collection Pymol-script-repo from a .zip file from here
git clone https://github.com/Pymol-Scripts/Pymol-script-repo
- Unpack it to here: C:\Python27\Lib\site-packages\pymol\pymol_path\Pymol-script-repo Double check that the folder name is correct and the same.
Open "Notepad" and write.
# Add paths to sys.path so PyMOL can find modules and scripts
import sys, os
pymol_git = os.path.abspath(os.path.join(os.environ['PYMOL_PATH'], 'Pymol-script-repo'))
os.environ['PYMOL_GIT_MOD'] = os.path.join(pymol_git,'modules')
sys.path.append(pymol_git)
sys.path.append(os.environ['PYMOL_GIT_MOD'])
# Make setting changes to Plugin Manager
import pymol.plugins
pymol.plugins.preferences = {'instantsave': False, 'verbose': False}
pymol.plugins.autoload = {'apbs_tools': False}
pymol.plugins.set_startup_path([os.path.join(pymol_git, 'plugins'), os.path.join(sys.prefix, 'Lib', 'site-packages', 'pmg_tk', 'startup')])
pymol.plugins.preferences = {'instantsave': True, 'verbose': False}
Then "File->Save as->All files-> C:\Python27\Lib\site-packages\pymol\pymol_path\run_on_startup.py
Now start pymol, and enjoy all the plugins available from the menu.
PyMOL shortcut
Make a pymol directory in your homepath. mkdir %HOMEPATH%\pymol Then make sure, PyMOL starts here, when you open the shortcut.
Make a shortcut to the .cmd file, and modify it.
Target: C:\python27\PyMOL\pymol.cmd
Start in: %HOMEPATH%\pymol
补充open with设置：
https://zhidao.baidu.com/question/560798557697418844.html
1.打开注册表。开始运行输入regedit回车 2.像找文件夹同样打开路径： HEKY_CURRENT_USER＼Software＼Microsoft＼Windows＼CurrentVersion＼Explorer＼FileExts 3.该路径下会出现全部的文件后缀文件夹，这里我找到.mp3 4.打开该路径下的OpenWithList 5.这时就会看到右边列出了许多打开的程序了，想用什么工具 你就以葫芦画瓢 就添加进去吧 想加几个加几个 想不要那个 就不要那个！ 6.关闭注册表便可。
可是仍是直接更名比较方便。