Re: [Open Babel] (no subject)

[Geoffrey H. <ge...@ge...>]

> One more thing, why do we have two different codes obprop and  
> obrotamer, is it possible to include print rotatable bonds by  
> running obprop , can we do that.

The definition of rotatable bonds is slightly different. The obprop  
program uses a general rule -- think of it as indicating the  
approximate number of rotatable bonds (based on cheminformatics). The  
obrotamer program actually generates rotamers/conformers. So it has a  
set of patterns for what bonds can be rotated.

Hope that helps,
-Geoff