CompoundDB is a very simple web-based application written in Ruby on Rails. It can be used to store information about chemicals in laboratory.
Matchmol is needed to search compounds in the database. It must be instaled in your server. http://merian.pch.univie.ac.at/~nhaider/cheminf/cmmm.html
Openbabel is needed to calculate molecular formula and molar mass.
sudo apt-get install fp-compiler
wget http://merian.pch.univie.ac.at/pch/download/chemistry/checkmol/checkmol.pas
fpc checkmol.pas -S2 -O3 -Op3
sudo cp checkmol /usr/local/bin
cd /usr/local/bin
sudo ln checkmol matchmol
sudo apt-get install openbabel
Installation of Ruby on Rails has been omitted. You can do this, for example, using rvm.
sudo apt-get install nodejs
git clone https://github.com/pablomontoja/CompoundDB.git
cd CompoundDB
mkdir structures/
bundle install
rake db:migrate
rails server
I prepared Ubuntu Server image (.vdi container) that can be used to run my app. You need to configure VirtualBox Port Forwarding (add port forwarding rule with Host Port=3000 and Guest Port=3000).
You can download the image from:
https://app.box.com/s/007yun4iju7ht4q9udvup0ffa4z2ewhf
root password: admin
user login: admin
user password: admin
After login as admin go to /home/admin/rails/CompoundDB and run:
rails server -b 10.0.2.15
Now in your host system in browser go to:
127.0.0.1:3000