Converting 2D to 3D

User 0beadd3e5a

07-08-2013 17:04:25

I have an SDF(2D format) file containing almost 100 molecules and I would like to convert all molecules in 3D. How do I do?


 


Thanks

ChemAxon 4fa3cf533c

08-08-2013 07:23:50

Hello Cherqaoui!


You could easily convert files containing 2d molecules to contain 3d molecules, by using MolConverter.
You can find more information and examples about molconverter here, and about the 3d options here.

For example in your case, the command would look like this:



 molconvert sdf -3 file_2d.sdf -o file_3d.sdf

 I hope this helps,
Tamás Fazekas-Vígh 

User 0beadd3e5a

09-08-2013 15:19:41

Dear Tamás


 


Thank you for your help