Not directly, I'm afraid. The code is in there - this exact functionality
is used by Confab and so it should not be too hard to expose, but it's not
available at the moment. Do you want to file a feature request at the issue
tracker (https://github.com/openbabel/openbabel/issues)?
In its absence,
Hello,
I have about 100 conformers. Some of those are similar based on RMSD when
looked at in VMD. I would like to eliminate redundant conformers based on
RMSD. Is there a way to do that within Open Babel?
Thanks
Carrie
--
