ChemMine Tools: open source web framework for small molecule analysis
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ChemmineR
accounts
chemminetools
compounddb
docs
drugbank
eisearch
myCompounds
pubchem_soap_interface
sdftools
similarityworkbench
static
templates
tools
.gitattributes
.gitignore
LICENSE.txt
README
Vagrantfile
apacheconfig
bootstrap.sh
celery_config
celeryd
manage.py
nginx_config
requirements.txt
sqllite
udev_rule
urls.py

README

ChemMine Tools: an Open Source Web Framework for Small Molecule Analysis

Look at bootstrap.sh for software dependencies and installation
instructions.

To get started with a development box:

1) Download and install git, Vagrant, and Virtualbox from here:
    http://git-scm.com/downloads
    http://www.vagrantup.com
    https://www.virtualbox.org

2) Clone this repo and cd into it:
    git clone https://github.com/TylerBackman/chemminetools.git
    cd chemminetools
3) Run this command to provision and launch your devel environment: 
    vagrant up
4) You will now have a running chemmine tools at:
    http://127.0.0.1:8081/myCompounds/addCompounds/
5) Note that this server is very insecure, as the private keys and passwords
come from the example file. You should block it with a firewall until you secure it
for production! Also, note that some tools (such as EI search) require large
databases and won't work with an out of the box devel container.
6) Shut down vagrant (re-run 'vagrant up' to relaunch):
    vagrant halt

Compatible Browsers:
Google Chrome 25 or newer
Safari 5 or newer 
Firefox 17 or newer

Incompatible Browsers:
Opera 12 (works but with minor issues with similarity workbench and table viewer)
Internet Explorer 6, 8, 10 (9 not tested) 

ChemMine Tools Copyright (c) 2011-2017, Tyler Backman, Yiqun Cao, Thomas Girke,
Kevin Horan, and The Regents of the University of California. All rights reserved.
See LICENSE.txt for license details.