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/downloadshttp://www.vagrantup.comhttps://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.