Hello! AFAIU, OpenBabel allows search of internal rotations via the list of rotable bonds. In OB terms, "Rotor" is a rotable bond, but I need to get rotors in sense of groups of atoms which take part in internal rotations.
Is there any convenient way to get rotors in sense I've described, or it's not implemented? -- Regards, Konstantin ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
