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#Setting up OOMMPPAA on Ubuntu
This is a full tutorial on setting up OOMMPPAA on a ubuntu 12.04 LTS 64 bit.
Download: Ubuntu 12.04 LTS 64 bit version and install as virtual machine or on a dedicated box
Then install the initial requirements
#!bash sudo apt-get install build-essential python-dev python-numpy git python-setuptools vim flex bison cmake sqlite3 libsqlite3-dev libboost-dev openbabel libboost-python-dev libboost-regex-dev python-matplotlib python-openbabel python-pip nginx libjpeg8 libjpeg62-dev libfreetype6 libfreetype6-dev unzip sudo easy_install ipython Django==1.5.0 tornado sudo pip install gunicorn django-jfu sudo apt-get install python-psycopg2
We need to do some funky stuff to get PIL to work
sudo ln -s /usr/lib/x86_64-linux-gnu/libjpeg.so /usr/lib sudo ln -s /usr/lib/x86_64-linux-gnu/libfreetype.so /usr/lib sudo ln -s /usr/lib/x86_64-linux-gnu/libz.so /usr/lib sudo pip install -U PIL
Now lets make the RDKit
#!bash mkdir ~/RDKit cd ~/RDKit git clone https://github.com/rdkit/rdkit.git
#!bash
git checkout dad1e1db5b0045e11972d931a8701c52ea90bb43
vim ~/.bashrc
export RDBASE=~/RDKit/rdkit export LD_LIBRARY_PATH=$RDBASE/lib:$LD_LIBRARY_PATH export PYTHONPATH=$RDBASE/lib:$RDBASE:PYTHONPATH
#!bash source ~/.bashrc cd $RDBASE mkdir build cd build cmake .. make make install
You will also need INCHI support, which is compiled seperately.
#!bash cd $RDBASE/External/INCHI-API bash download-inchi.sh cd $RDBASE/build cmake .. -DRDK_BUILD_INCHI_SUPPORT=ON make make install
Now lets get the OOMMPPAA code:
#!bash cd ~/ git clone https://abradley@bitbucket.org/abradley/oommppaa.git CHOC
#!bash
wget https://bitbucket.org/abradley/oommppaa/downloads/OOMMPPAA_db.db ~/CHOC/src/WebApp/data/OOMMPPAA_db.db
At this point you can use Tornado as a server. Simply type:
#!python python runtornado.py --port 9001 --address 127.0.0.1
If you want the site to be more robust then use this example to help out.
Updated