Bugs Maximize Restore

Showing results of 175

# Summary Milestone Status Owner Created Updated Votes
853 hard-coded bond length in ControllerHub None open 2009-02-19 2012-10-08 0  
852 Incorrect 2D coordinates generated for Verapamil cdk-1.4.x open 2009-02-17 2013-08-02 0  
844 Match fails when dealing with a lactam cdk-1.4.x open 2009-02-11 2013-08-02 0  
842 MDLWriter should scale down coordinates to Angstrom units cdk-1.4.x open Egon Willighagen 2009-02-07 2013-08-02 0  
838 CML-roundtripped Reaction makes bad ChemModel None open 2009-01-30 2012-10-08 0  
829 Smiles Parser should not perform aromaticity detection None open Stefan Kuhn 2009-01-14 2012-10-08 0  
828 Wiki lacks page on perceiving aromaticity in SmilesParser None open 2009-01-14 2012-10-08 0  
797 getExternalSelectedPart can be null None open gilleain maclean torrance 2008-12-09 2012-10-08 0  
795 SVG export not fully implemented None open gilleain maclean torrance 2008-12-07 2012-10-08 0  
789 Atoms should not be on top of each other None open 2008-12-03 2012-10-08 0  
765 GasteigerMarsiliPartialCharges error None open Miquel Rojas Cherto 2008-11-17 2012-10-08 0  
753 ExtendedFingerprinter uses cloning but... master open 2008-11-04 2012-10-08 0  
736 aromatic molecules differ based on their source master open 2008-10-21 2012-10-08 0  
713 add an addAtomContainer in IRingSet master open 2008-09-08 2012-10-08 0  
681 detection of resonance structure fails with aromatic None open Miquel Rojas Cherto 2008-07-09 2012-10-08 0  
669 propagation atom Identities in Reactions None open Miquel Rojas Cherto 2008-05-27 2012-10-08 0  
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  
661 DeduceBondSystemTool fails on quinone None open 2008-05-23 2012-10-08 0  
658 testBigRingSystem() is taking much longer than before None open 2008-05-22 2012-10-08 0  
651 Smiles test fails. Create a test for each None open Miquel Rojas Cherto 2008-05-14 2012-10-08 0  
650 SmilesParser should throw expection for 'n1cccc1' None open Christoph Steinbeck 2008-05-12 2012-10-08 0  
645 Results by PartialPiChargeDecriptorTest None open Miquel Rojas Cherto 2008-05-06 2012-10-08 0  
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