事情常常變化，首先參考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
這裏就不涉及了。git
Pre-compiled Open-Source PyMOL is available free from Christoph Gohlke of the Laboratory for Fluorescence Dynamics, University of California, Irvinegithub
這個是目前比較流行的安裝方式。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
問題就是：高版本的pse，在低版本打不開。
pip uninstall pymol-launcher-2.1
pip uninstall pmol
pip uninstall pmw
版本3的有點問題，後來仍是裝版本2的了。啓動沒有問題。可是因爲以前有一個PyMOL.exe。
因此啓動的時候會不太爽。修改成Pymol2.exe。就能夠了。
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
補充open with設置：
https://zhidao.baidu.com/question/560798557697418844.html
1.打開註冊表。開始運行輸入regedit回車 2.像找文件夾同樣打開路徑： HEKY_CURRENT_USER＼Software＼Microsoft＼Windows＼CurrentVersion＼Explorer＼FileExts 3.該路徑下會出現全部的文件後綴文件夾，這裏我找到.mp3 4.打開該路徑下的OpenWithList 5.這時就會看到右邊列出了許多打開的程序了，想用什麼工具 你就以葫蘆畫瓢 就添加進去吧 想加幾個加幾個 想不要那個 就不要那個！ 6.關閉註冊表便可。
可是仍是直接更名比較方便。