Ola Spjuth olas
olas
/ Build a molecule using Bioclipse script for JChemPaint.js
Created
April 17, 2009 20:55
— forked from egonw/buildMolecule.js
Iteratively build mol using JCP
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| /******************************************************************************* | |
| * Bioclipse-script to iteratively build a molecule in JChemPaint | |
| * Author: Ola Spjuth | |
| * Author: Egon Willighagen | |
| ******************************************************************************/ | |
| //Start with a carbon and open in JCP | |
| mol=cdk.fromSMILES("C") | |
| mol2=cdk.generate2dCoordinates(mol) | |
| ui.open(mol2) |