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The Bug Tracker for CDK here at sourceforge.net
is in read-only mode. It presents the state of
CDK Bug tickets in Aug 2017. Tickets are now
managed at https://github.com/cdk/cdk

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668 Partial charge calculation for rare AtomTypes None open Miquel Rojas Cherto 2008-05-27 2012-10-08 0  
665 testCalculate_NoModifications fails in charge calculation None open Miquel Rojas Cherto 2008-05-25 2012-10-08 0  
664 An example in each reaction in the ontology owl file None open Miquel Rojas Cherto 2008-05-24 2012-10-08 0  
663 The reaction center determined from ontology None open Miquel Rojas Cherto 2008-05-24 2012-10-08 0  
645 Results by PartialPiChargeDecriptorTest None open Miquel Rojas Cherto 2008-05-06 2012-10-08 0  
587 InductivePartialCharge calculator too feature complete None open 2008-01-14 2012-10-08 0  
572 RXN File Reader PseudoAtom None open 2007-12-13 2015-01-01 0  
546 Possibly PDB roundtrip problem: needs JUnit test None open 2007-09-14 2012-10-08 0  
484 CML roundtripping of aromaticity problem None open Egon Willighagen 2007-04-28 2015-01-01 0  
450 VicinitySampler does not try all atom combo's None open 2007-01-10 2015-01-01 0  
449 Partial charge not always calculated in RDF descriptors None open Federico Marighetti 2007-01-10 2012-10-08 0  
445 Problems with the PartialTChargeMMFF94Descriptor None open 2007-01-05 2012-10-08 0  
424 MDL Mol file reader problem with g in the property block master open John May 2006-10-30 2015-01-01 0  
408 not put in the same order atoms when is created a pdb-cml None open 2006-09-26 2015-01-01 0  
395 CML default units None open 2006-08-22 2015-01-01 0  
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