Hack-a-Mol

from Hacker News https://ift.tt/2L6leL6

Hack-a-Mol This page is designed especially for students of cheminformatics who 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, a SMILES string, or a Chemical 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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