Show InChi and InChi Key on JSME

Q

How to display the InChi string and InChi Key of the molecule in JSME editor?

✍: FYIcenter.com

A

JSME does not offer any API methods to export the InChi string and InChi Key of the molecule in the editor. But you can display them on the editor UI.

1. Follow the previous tutorial to install JSME on your Web server.

2. Run the demo page on the Apache Web server by opening "http://localhost/jsme/JSME.html" URL in a Web browser.

3. Select the "benzene ring" icon from the JSME editor menu and click a location inside the editor. You see a benzene ring molecule created.

4. Select the "export & import" icon from the menu and select "Copy as InChi". You see the InChi string "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" displayed.

Show Molecule InChi in JSME
Show Molecule InChi in JSME

 

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2020-05-18, 214👍, 0💬