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.
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

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.

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.


Published by iwatobipen

I'm medicinal chemist in mid size of pharmaceutical company. I love chemoinfo, cording, organic synthesis, my family.

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