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Group 2.4.x  Maximize  Restore

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2.4.x

Showing 14 results of 14

# Summary▾ Milestone▾ Status▾ Owner▾ Created▾ Updated▾
994 obminimize gives warnings 2.4.x wont-fix Noel O'Boyle 2017-03-24 2017-03-24  
992 Charges output wrong when converting CDX to GJF/COM/GAU/GJC 2.4.x open 2017-03-07 2017-03-07  
990 Obconformer does not return lowest energy conformer 2.4.x open 2017-02-10 2017-02-10  
988 OBMol.GetCoordinates() do not work. 2.4.x open Noel O'Boyle 2016-12-09 2016-12-15  
987 OBForceField functions ignore convergence criteria 2.4.x open 2016-12-08 2016-12-08  
986 mol2 to pdbqt atom type conversion bug 2.4.x open 2016-12-07 2016-12-07  
985 pdf multichain exports to fasta monochain 2.4.x open 2016-12-05 2016-12-05  
984 models extracted from pdb files must be renumbered 2.4.x open 2016-12-05 2016-12-05  
983 cml embedded inside svg lacks stereo information 2.4.x open 2016-12-05 2016-12-05  
982 Error converting ORCA output files 2.4.x open 2016-11-04 2016-11-04  
981 Error converting xyz containing heteroaromatics to mol (version 2.4.1) 2.4.x open 2016-11-02 2016-11-02  
977 [CRITICAL ERROR] If you .write as an inchi, a core dump happens. 2.4.x open 2016-10-13 2016-10-13  
976 Error in converting cdx files with functional group aliases 2.4.x open 2016-10-10 2016-10-10  
918 Segfault upon reading GAMESS output with vibrations 2.4.x open 2014-03-30 2016-11-04  
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