ViLAS tool
Need software
Python version >= 2.7
sudo apt-get install python python-setuptools python-dev python-augeas python-opengl python-imaging python-pyrex python-pyside.qtopengl python-qt4 python-qt4-gl python-lxml
Gromacs version >= 4.6
sudo apt-get install gromacs
Cython:
sudo apt-get install cython
orsudo pip install cython
Openbabel
sudo apt-get install openbabel
orsudo pip install openbabel
Scipy
sudo pip install scipy
Avogadro for python
sudo apt-get install avogadro
Pymol
sudo apt-get install pymol
R base
sudo apt-get install r-base
ANTECHAMBER - download: http://ambermd.org/AmberTools14-get.html
tar xvfj AmberTools14.tar.bz2
cd amber14
export AMBERHOME=/<directory>/amber14
./configure gnu
make install
nano ~/.bashrc
-> export AMBERHOME=/<directory>/amber14
-> export PATH=$AMBERHOME/bin:$PATH
source ~/.bashrc
How to install ViLAS in Ubuntu
- Install pip
sudo apt-get install python-pip
- Install ViLAS
sudo pip install vilas
If you get error while installing, maybe it lacks some below packages
** Missing openGL:
sudo apt-get install build-essential
sudo apt-get install freeglut3-dev
** Missing pygame:
sudo apt-get install python-pygame
or
sudo pip install hg+http://bitbucket.org/pygame/pygame
** Missing some package
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 install libsdl2-2.0-0 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 libqtcore4 libqt4-xml libqt4-test libqt4-script libqt4-network libqt4-dbus libgle3