【Ware】一些软件的安装

MGLTools 1.5.7

./install.sh

+environment variable

# do not use the following sentence
export PATH=".../MGLTools-1.5.7/bin:$PATH"  

# use these sentences
alias adt=".../MGLTools-1.5.7/bin/adt"

# optional
alias pmv=".../MGLTools-1.5.7/bin/pmv"
alias vision=".../MGLTools-1.5.7/bin/vision"
alias pythonsh=".../MGLTools-1.5.7/bin/pythonsh"

open the software

Open Babel 3.1.1

https://github.com/openbabel/openbabel/releases

https://open-babel.readthedocs.io/en/latest/Installation/install.html#compiling-open-babel

tar -xjf openbabel-3.1.1-source.tar.bz2
cd openbabel-3.1.1
mkdir openbabel-install build
cd build 
cmake ../ -DCMAKE_INSTALL_PREFIX=/home/.../openbabel-3.1.1/openbabel-install 
make -j 8 && make install

# add the path
export PATH=".../openbabel-3.1.1/openbabel-install/bin:$PATH"

vina 1.2.5/vina_split 1.2.5/qvina 2.1

chmod 777 name

PyMOL

https://pymol.org/2/support.html?#installation

# add the path
alias pymol=".../pymol/pymol"