1. Environment setup | AutoDock vina docking with Zinc metalloproteins скачать в хорошем качестве

1. Environment setup | AutoDock vina docking with Zinc metalloproteins

In this tutorial, we setup the working environment for running AutoDock vina docking with zinc metalloproteins. We walk through the tutorial provided by AutoDock: https://autodock-vina.readthedocs.io/... Used programs: -------------------------- 1. AutoDock Tools 1.5.6: https://ccsb.scripps.edu/download/546... 2. AutoDock Tools 1.5.7: https://ccsb.scripps.edu/download/292... 3. AutoDock vina GitHub repo: https://codeload.github.com/ccsb-scri... 4. AutoDock vina 1.2.3 release: https://github.com/ccsb-scripps/AutoD... 5. AutoDock 4: https://autodock.scripps.edu/wp-conte... 6. Anaconda: https://repo.anaconda.com/archive/Ana... --------------------------------------------------------------------------------------------------------------------------------------------------------------- Terminal commands: ---------------------------------- chmod +x mgltools_Linux-x86_64_1.5.6_Install ./mgltools_Linux-x86_64_1.5.6_Install chmod +x mgltools_Linux-x86_64_1.5.7_Install ./mgltools_Linux-x86_64_1.5.7_Install sudo apt install pymol chmod +x Anaconda3-2021.05-Linux-x86_64.sh ./Anaconda3-2021.05-Linux-x86_64.sh gedit ~/.bashrc export PATH='/home/user/anaconda3/bin':$PATH source ~/.bashrc sudo apt update sudo add-apt-repository universe sudo apt install python2 sudo apt update wget https://bootstrap.pypa.io/pip/2.7/get... sudo python2 get-pip.py pip2 install numpy gedit ~/.bashrc export PYTHONPATH="/home/user/MGLTools-1.5.7/MGLToolsPckgs":$PYTHONPATH source ~/.bashrc conda create -n vina python=3.6 conda init conda activate vina conda config --env --add channels conda-forge conda install -c conda-forge numpy openbabel rdkit scipy pip install meeko pip install vina --------------------------------------------------------------------------------------------------------------------------------------------------------------- LinkedIn:   / muhammad-i-ismail   GitHub: https://github.com/MuhammadIIsmail Research Gate: https://www.researchgate.net/profile/...