Interesting Web app Named ‘ChemTreeMap’ using RDKit.

I like web app because user does not need client soft to use it.
I often use cytoscape to visualise molecular network. Network view is very informative.
Yesterday, I found cool web app that using RDKit.
URL is following.
http://ajing.github.io/ChemTreeMap/
The app is an open source application for visualizing molecular networks.
If user can use docker, Installation is very easy. 😉
I’m mac user, so I start boot2docker at first.
And run following command.

iwatobipen$ boot2docker start
iwatobipen$ docker pull ajing/chemtreemap

Wait several minutes……
Then run the server.

iwatobipen$ docker run -t -i -p 8000:8000 ajing/chemtreemap /bin/bash
root@6969be03007e:/# cd examples/
root@6969be03007e:/examples# python examples.py

Ready!
Access to server from mac.
http://’docker’s ip’:8000/dist/#/aff

To get docker’s ip just input following command  ‘boot2docker ip’.

I got following interactive view.
chemtreemap_sc

Worked fine. The app seems light weight and colourful.
And the library using RDKit for chemical structure handling, it’s meaning the app has  flexibility for development.
I wish the app had structure search function.

Docker is very useful to share nice technology for everyone.
I’m looking forward to major release of native docker app for MAC.

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