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745 OBMol.delete() crash in native code if containing conformers 2.3.x open 2011-07-24 2012-10-23  
744 obabel segmentation fault in --gen3d None open 2011-07-21 2012-10-23  
741 obabel cyclization hang for large silicon cluster 3.0 open 2011-07-02 2012-10-23  
737 openbabel move the position of already present hydrogens None open 2011-06-22 2012-10-23  
735 Errors in group-contribution data files None open 2011-06-14 2012-10-23  
733 Method to specify seed for ran. gen. in OBConformerSearch 2.3.x open 2011-06-13 2012-10-23  
732 OBConformerSearch always prints to stdout 2.3.x open 2011-06-13 2012-10-23  
729 Aromatic P not recognised in SMILES None open 2011-06-02 2014-09-07  
728 Handling of Implicit H in Smarts None open 2011-06-02 2012-10-23  
725 Wrong Gaussian Log --> XYZ conversion (with CounterPoise) 2.2.x open 2011-05-11 2012-10-23  
723 Mistranslation of hydrogens 3.0 open 2011-04-29 2012-10-23  
721 Hybridization rule for O sp2 in C(=O)OH 2.3.x open 2011-04-07 2012-10-23  
720 inconsistent -h/--gen3d hydrogenation schemes 2.3.x open 2011-04-06 2012-10-23  
718 Wrong spin computed for lithium atom in XYZ -> QChem input 2.3.x open 2011-04-04 2012-10-23  
717 Wrong spin computed for pdb input 2.3.x open 2011-04-04 2012-10-23  
714 precision error in conversion from internal coordiantes None open 2011-03-30 2012-10-23  
711 Atom typing problem None open 2011-03-23 2012-10-23  
710 Gasteiger partial charges and the -p option 2.3.x open Noel O'Boyle 2011-03-08 2014-08-13  
709 Formal charges lost when going from pdb to pdb None open 2011-03-08 2012-10-23  
705 --gen3D does not work for decalin None open 2011-02-19 2012-10-23  
703 azide --gen3D / -p7.4 None open 2011-02-17 2012-10-23  
700 babel 2.3 linux - wrong bond order/ doesn't print charges None open 2011-01-25 2012-10-23  
697 Hydrogen erroneously added when converting to InChI None open 2011-01-13 2012-10-23  
694 make install ignores DESTDIR for Python extension 2.3.x open 2011-01-04 2012-10-23  
692 SDF file atom parity calculated incorrectly when Hs involved None open Noel O'Boyle 2010-12-17 2012-10-23  
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