gromacs中导向分子模拟的自动工具
vilas的Python项目详细描述
需要软件
1。python version>；=2.7
sudo apt get install python python setuptools python dev python augeas python opengl python imaging python python pyrex python-pyside.qtopengl python-qt4 python-qt4-gl python lxml
2.gromacs版本=4.6
sudo apt get install gromacs
3.openbabel
sudo apt get install openbabel
或
sudo pip install openbabel
4.avogadro for python
sudo apt get安装avogadro
5。Pymol
请安装Pymol
6。xmgrace
sudo apt get install grace
如何在ubuntu
1中安装labpi。安装pip
sudo apt get install python pip
2。安装labpi
sudo pip install labpi
***如果在安装时出错，可能它缺少以下一些包
**安装cython时出错：
sudo apt get install cython
或
sudo pip install cython
**缺少opengl:
sudo apt get install build essential
sudo apt get install freeglut3 dev
**缺少pygame:
sudo apt get install python pygame
或
sudo pip installhg+http://bitbucket.org/pygame/pygame
**缺少一些包
sudo apt get installgcc swig dialog
sudo apt get install-y python pip build essential libsdl2 dev libsdl2 image dev libsdl2 mixer dev libsdl2 ttf dev libportmidi dev libswscale dev libavformat dev libavcodec dev zlib1g dev
sudo apt get installlibsdl2-2.0-0 libsdl2-image-2.0-0 libsdl2-mixer-2.0-0 libsdl2-ttf-2.0-0
sudo apt get install xmlsec1 openssl libxmlsec1 libxmlsec1 dev
sudo apt get install build essential autoconf libtool pkg config idle-python2.7 qt4 dev tools qt4 designer libqtgui4 libqtore4 xml libqt4 test libqt4 script libqt4 network libqt4 dbus诽谤3
1。python version>；=2.7
sudo apt get install python python setuptools python dev python augeas python opengl python imaging python python pyrex python-pyside.qtopengl python-qt4 python-qt4-gl python lxml
2.gromacs版本=4.6
sudo apt get install gromacs
3.openbabel
sudo apt get install openbabel
或
sudo pip install openbabel
4.avogadro for python
sudo apt get安装avogadro
5。Pymol
请安装Pymol
6。xmgrace
sudo apt get install grace
如何在ubuntu
1中安装labpi。安装pip
sudo apt get install python pip
2。安装labpi
sudo pip install labpi
***如果在安装时出错，可能它缺少以下一些包
**安装cython时出错：
sudo apt get install cython
或
sudo pip install cython
**缺少opengl:
sudo apt get install build essential
sudo apt get install freeglut3 dev
**缺少pygame:
sudo apt get install python pygame
或
sudo pip installhg+http://bitbucket.org/pygame/pygame
**缺少一些包
sudo apt get installgcc swig dialog
sudo apt get install-y python pip build essential libsdl2 dev libsdl2 image dev libsdl2 mixer dev libsdl2 ttf dev libportmidi dev libswscale dev libavformat dev libavcodec dev zlib1g dev
sudo apt get installlibsdl2-2.0-0 libsdl2-image-2.0-0 libsdl2-mixer-2.0-0 libsdl2-ttf-2.0-0
sudo apt get install xmlsec1 openssl libxmlsec1 libxmlsec1 dev
sudo apt get install build essential autoconf libtool pkg config idle-python2.7 qt4 dev tools qt4 designer libqtgui4 libqtore4 xml libqt4 test libqt4 script libqt4 network libqt4 dbus诽谤3
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