Controlling bond angles

User 664e1c718a

08-06-2007 18:31:36

In Marvin Sketch, is there some way to control bond-atom-bond angles to be a specific value?

User f359e526a1

11-06-2007 09:23:01

Hello, I am afraid, there is are no 3D edit tools to set these value in the current release.

ChemAxon 909aee4527

14-06-2007 15:25:10

Hi Mark,





would you allow me a question about bond-angle control:


In MarvinSpace it is available to interactively change a molecule by rotating one part around a rotatable bond, but an explicit value cannot be set now.


I'm not sure if this can be used in your case or do you rather think about a different thing?





Judit

User 870ab5b546

20-06-2007 00:32:44

This page allows you to set a dihedral angle about a bond.

User f359e526a1

20-06-2007 08:36:16

There it is, it is the third time today to say thank you :)

User 870ab5b546

20-06-2007 13:47:43

You're welcome.





I'm attaching invertStereo.jsp and rotateDihedral.jsp. Feel free to modify and incorporate the code therein into any future tools inside Marvin. I had requested a mirror function previously, and obviously there is a desire out there for the ability to set a dihedral angle.





BTW, the invertStereo page works on both 2D and 3D structures.