Re: [Open Babel] Open Babel question about convertion object

2016-02-13 Thread Craig James
On Fri, Feb 12, 2016 at 6:49 AM, Dziamski, Olgierd < olgierd.dziam...@psychogenics.com> wrote: > Hi Forum members, > > I am the software developer at Psychogenics Inc. We are using Open Babel > for our drug discovery research and C# library to call the Open Babel API. > In order to convert smiles

[Open Babel] Open Babel question about convertion object

2016-02-13 Thread Dziamski, Olgierd
Hi Forum members, I am the software developer at Psychogenics Inc. We are using Open Babel for our drug discovery research and C# library to call the Open Babel API. In order to convert smiles to the canonical one we create an OBMol object, then we use OBConversion object to run ReadString(OBMol