[Open Babel] Identifying functional groups in a molecule using OpenBabel

Hi, I am trying to identify all the UNIFAC functional subgroups that exist in a molecule as part of my research on Aerosols. I have just installed the Openbabel Toolkit and I am planning to use Microsoft Visual Studio C++ as platform for the API and I am really excited about using the toolkit for

Re: [Open Babel] Identifying functional groups in a molecule using OpenBabel

Hi Noel, Thank you for your response. I can see that Python makes it possible to match the SMARTS rule with the desired element in the molecule. I am currently using Openbabel in Visual Studio C++. And I want to use a separate file that contains all of my SMARTS rules for functional groups along w

Re: [Open Babel] Identifying functional groups in a molecule using OpenBabel

, amprimiriam -- View this message in context: http://forums.openbabel.org/Identifying-functional-groups-in-a-molecule-using-OpenBabel-tp4658507p4658568.html Sent from the General discussion mailing list archive at Nabble.com

[Open Babel] Help using Pybel in Microsoft Visual Studio and from within batch file

Hi, I have so far been able to build the openbabel solution in Debug mode with Python bindings enabled. I see that the openbabel-2.dll and openbabel.py have been built in the Debug folder inside the "bin" folder. The Debug folder in the "src" folder also contains two library files named "openbabel