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ChemMine Tools: open source web framework for small molecule analysis
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girke-lab/chemminetools
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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.
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