Dear openbabel developers, I found another bug:
$ obabel -:"[BH-]" -h --gen3d -omol | obabel -imol -oreport | grep FO 1 molecule converted 1 molecule converted FORMULA: BH2- <----NG $ obabel -:"[B].[F-]" -h --gen3d -oreport | grep FO 1 molecule converted FORMULA: BFH3- <--- NG $ obabel -:"[C].[F-]" --addh --gen3d -omol OpenBabel09121613383D 6 4 0 0 0 0 0 0 0 0999 V2000 0.8573 0.1372 -0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -0.9237 2.8746 F 0 5 0 0 0 0 0 0 0 0 0 0 1.9457 0.2305 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4504 0.6368 0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 -0.9195 -0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 0.6013 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 M CHG 1 2 -1 M END 1 molecule converted <---- NG thanks, Nakata Maho ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel