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cdk-1.6.x

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# Summary Milestone Status Owner Created Updated Votes
1383 AtomContainerManipulator.convertImplicitToExplicitHydrogens does not treat correctly the chiral atoms with H atom ligand cdk-1.6.x closed John May 2016-08-17 2016-08-18 0  
1382 No types defined for atoms with > 1 single electron cdk-1.6.x closed 2009-10-13 2016-08-11 0  
1381 Isotopes class JavaDoc cdk-1.6.x open Egon Willighagen 2016-08-09 2016-08-18 0  
1380 random behaviour of SMILES parser/generator cdk-1.6.x open John May 2016-04-07 2016-08-15 0  
1379 MDL2000Reader settings cdk-1.6.x closed John May 2016-02-23 2016-02-27 0  
1378 Error when parsing particular SMILES cdk-1.6.x open John May 2016-02-19 2016-08-10 0  
1375 SmilesParser throws ArrayIndexOutOfBoundsException on invalid smiles cdk-1.6.x closed John May 2015-11-23 2015-11-27 0  
1374 InChITautomerGeneratorTest regressions cdk-1.6.x closed 2015-11-22 2015-11-28 0  
1372 AtomContainer properties are returned as unmodifiable collection in 1.5.11 cdk-1.6.x closed John May 2015-09-09 2015-09-09 0  
1371 absolute smiles generator fails again cdk-1.6.x closed 2015-09-08 2015-11-28 0  
1369 Null bond in the Atomcontainer cdk-1.6.x open 2015-08-13 2016-08-10 0  
1368 Error identifying aromatic bonds in fused rings cdk-1.6.x closed 2015-08-07 2015-08-22 0  
1367 SMILESReader silently fails to read molecules that can't be kekulized cdk-1.6.x closed John May 2015-07-25 2015-08-22 0  
1366 IAtomParity not found in Cdk 1.5 cdk-1.6.x closed 2015-06-29 2015-06-29 0  
1365 Unable to find query atoms in aromatic rings cdk-1.6.x closed 2015-06-22 2015-06-23 0  
1364 SMARTS Matching Ring Bridge Atoms cdk-1.6.x closed 2015-06-17 2015-06-21 0  
1362 Disabling aromatization in SMARTSQueryTool cdk-1.6.x closed 2015-05-26 2015-05-26 0  
1361 JavaDoc doesn't generate from master cdk-1.6.x wont-fix 2015-02-19 2015-06-21 0  
1360 LengthOverBreadthDescriptor yields only NaNs cdk-1.6.x closed 2015-02-19 2015-02-22 0  
1359 ModelBuilder3D fails on SMILES strings with hydrogens cdk-1.6.x open 2015-02-19 2015-02-19 0  
1358 ClassCastExpection when creating fingerprint cdk-1.6.x closed 2015-02-19 2015-11-28 0  
1351 NPE when adding a MF to another MF where the latter had an unset charge cdk-1.6.x closed 2014-09-16 2014-12-01 0  
1350 NPE when generating a MolFormula with atoms with unset formal charge cdk-1.6.x closed 2014-09-15 2014-12-01 0  
1336 Java 1.8.0 XML Validation cdk-1.6.x open Egon Willighagen 2014-04-01 2016-08-10 1  
1329 Descriptor Engine System.out cdk-1.6.x closed 2014-02-03 2014-02-03 0  
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