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Hack-a-Mol, Hacker News


Hack-a-MolThis page is designed especially for students ofcheminformaticswho are just starting to learn about how chemical structures are represented digitally.

With this page you can draw a structure in 2D, compare that with its 3D structure, and also see its structural data in a variety of formats. You can also enter a chemical identifier – a chemical name, aSMILESstring, or aChemical Abstracts Registry Number, for instance – in the box under the JSmol window.

If you hack the structural data (carefully!) And then press ENTER, the 2D and 3D structures will update.

You can also drag-drop a structure file into the JSmol window or copy / paste it into the textarea.

How It Works

Author:Bob Hanson

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