getting the 3d view of a molecule in the MSketchPane

User 797b906150

19-10-2013 06:52:13

I'm trying to get the 3D view of a molecule which is drawn in the MSketchPane.  I used 


MolPrinter printer = new MolPrinter(molecule);


printer.setRendering(DispOptConsts.BALLSTICK_RENDERING_S);


I have attached the structure I'm getting below.


But seems lik its not actually the 3D structure I'm getting. please guide me to get the 3D structure of a molecule.

User aa363b6f4d

22-10-2013 14:59:51










zennnith wrote:

I'm trying to get the 3D view of a molecule which is drawn in the MSketchPane.  I used 


MolPrinter printer = new MolPrinter(molecule);


printer.setRendering(DispOptConsts.BALLSTICK_RENDERING_S);


I have attached the structure I'm getting below.


But seems lik its not actually the 3D structure I'm getting. please guide me to get the 3D structure of a molecule.



MSketchPane is a very nice tool to make 3D models. i use AudoCad also for that.

ChemAxon 4fa3cf533c

24-10-2013 15:06:35

Hello,


You'll have to calculate 3d coordianates before printing it out. You'll either have to clean the molecule in 3d, or use molconverter to convert the molecule to some picture format, and it will do it for you if you set the -3 switch.


Here are the documentations for both of them : 


Cleaner doc, api


MolConverter doc, api


 


Hope this helps,


Tamas Fazekas-Vigh

User 797b906150

26-10-2013 21:20:18

thanks that solved my problem.