README

April 9, 2017 · View on GitHub

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:

Download and install git, Vagrant, and Virtualbox from here: http://git-scm.com/downloads http://www.vagrantup.com https://www.virtualbox.org
Clone this repo and cd into it: git clone https://github.com/TylerBackman/chemminetools.git cd chemminetools
Run this command to provision and launch your devel environment: vagrant up
You will now have a running chemmine tools at: http://127.0.0.1:8081/myCompounds/addCompounds/
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.
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)