Created
January 23, 2009 17:15
-
-
Save gilleain/51090 to your computer and use it in GitHub Desktop.
make and save a benzene, then fuse it with another
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| // showing off the scripting potential of the jchempaint editor | |
| // create a benzene ring, and save it in the /Vitrual folder | |
| cdk.saveMolecule(cdk.generate2dCoordinates(cdk.fromSMILES("c1ccccc1")), "/Virtual/benzene.cml") | |
| // open this file in a jchempaint editor | |
| ui.open("/Virtual/benzene.cml") | |
| // fuse this benzene with another | |
| jcp.addPhenyl(jcp.getModel().atomContainer.getBond(0)) |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment