Re: [Open Babel] Stereochemistry with Openbabel 2.3.1

2012-08-21 Thread Noel O'Boyle
If you just want to know which atoms have defined stereo, write it out as CML and look at the bondStereo and atomParity sections, e.g.: C:\Users\Noel>obabel -:Br[C@](Cl)(I)C/C=C/Cl -ocml http://www.xml-cml.org/schema";> 1 T 1 mole

Re: [Open Babel] Stereochemistry with Openbabel 2.3.1

2012-08-21 Thread Tim Vandermeersch
Hi, On Tue, Aug 21, 2012 at 9:38 AM, Alejandro Speck Planche wrote: > Dear colleagues > My name is Alejandro. I've been using it several times OpenBabel program > (version 2.3.1) for conversion to multiple molecular formats. Right now I'm > particularly interested in how to print the atoms and /