Build research lab
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Here is how to build a core research lab using our tools.
install operating system and core tools
- 1. Set up a computer.
You can get a USB or DVD image of Centos 6.5, for example. 64 bit hardware is better, but 32 bit should work. Other linuxes have not been tested well, but Fedora should work.
- 2. Get our tools and install core packages
acquire DOCK.git from github.org
As root:
cat centos-packages | xargs yum install -y
- 3. Download, Install and Customize Python
Tested with 2.7.x We are working towards a 3.x version. This is not absolutely necessary, but we find it is more reliable to have complete control. as root:
./python.sh path-to-python-tarball /opt/python run install ez_setup.py setuptools to new python install
- 4. Use ezinstall to add pip
command here
- 5. Install latest Postgres
yum install psql
- 6. Get latest Rdkit
get rdkit.
- 7 Use pip to get tools
pip install flask pip install sqlalchemy pip install flask-admin
- 8. Get our tools
- 9. Get UCSF Software
get rdalchemy.git
get AgAd demo and data from git
- 10. Global update of all software
yum update
testing
- 1 . set up a web server
- 2. run DOCK
optional set up
- 1. queuing system
- 2. nfs server and central services