[Open Babel] (no subject)

Is there a way to append ROTATABLE_BOND as a descriptor in openbabel, If is there any then please help me. -- Regards, Rajeev Ranjan Roy Project Assistant Prof. A. Surolia's Laboratory Molecular Biophysics Unit (MBU) Indian Institute of Sciences , Bangalore M.Sc, [Biotechnology], (2010-12)

Re: [Open Babel] (no subject)

Hi, Is there a way to append ROTATABLE_BOND as a descriptor in openbabel, If is there any then please help me. http://forums.openbabel.org/number-of-rotatable-bonds-td959206.html Should be easy to add the corresponding line in openbabel-2.3.1/tools/obprop.cpp, recompile, and run obprop, if

Re: [Open Babel] (no subject)

On 28/03/2013 12:17, Pascal Muller wrote: Hi, Is there a way to append ROTATABLE_BOND as a descriptor in openbabel, If is there any then please help me. http://forums.openbabel.org/number-of-rotatable-bonds-td959206.html Should be easy to add the corresponding line in

[Open Babel] ElementalDB

I just thought you might find this interesting. Searching a 1.2M structure database on your iPad. http://www.macinchem.org/reviews/dotmatics/elementalTech.php Cheers. Chris -- Own the Future-Intel(R) Level Up Game Demo