Hello,
I see that obabel has a number of built-in descriptors (obabel -L
descriptors). Is it possible to pass in a structure file and get the
descriptor information?
For example, I have conf.xyz and I would like the number of bonds, is it
possible to do something like:
obabel conf.xyz --descriptor bonds
Thanks!
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
