Chemistry Development Kit 1.5.6 Dev freeware
Chemistry Development Kit is now developed by more than 40 developers all over the world and used in more than 10 different academic as well as industrial projects world wide. ...
Author | The CDK Project |
Released | 2014-04-30 |
Filesize | 26.80 MB |
Downloads | 997 |
OS | Windows XP, Windows Vista, Windows Vista x64, Windows 7, Windows 7 x64 |
Installation | Instal And Uninstall |
Keywords | Java library, chemoInformatics library, bioinformatics library, chemistry, chemoinformatics, bioinformatics |
Users' rating (12 rating) |
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1.5.6 Dev | Apr 30, 2014 | New Release | Updated JavaDoc to explicitly state that g2 must be a substructure of g1 More unit tests for the MCSS problem in bug report 2944080. Simplified the code using the new 'T read(T)' API used in MDLV2000Reader as defined by the ISimpleChemObjectReader Updated for the new generics 'T read(T)' API in ISimpleChemObjectReader. Introduced generics allowing the return type to be identical to the passed argument. It does require implementing classes to be updated with the new API too. Added missing dependency, fixing the unit test reading a file from data / added working implementations for PartialFilledStructureMerger and CrossoverMachine added working implementations for PartialFilledStructureMerger and CrossoverMachine tests for crossover machine and PartialFilledStructureMerger tests for crossover machine and PartialFilledStructureMerger added dependency Fixed use of global isRef variable, to make it threading-safe Added control 'isref' creating a CML with reaction and list molecules |
1.5.2 Dev | May 2, 2013 | New Release | · Updated JavaDoc to explicitly state that g2 must be a substructure of g1 · More unit tests for the MCSS problem in bug report 2944080. · Simplified the code using the new 'T read(T)' API used in MDLV2000Reader as defined by the ISimpleChemObjectReader · Updated for the new generics 'T read(T)' API in ISimpleChemObjectReader. · Introduced generics allowing the return type to be identical to the passed argument. It does require implementing classes to be updated with the new API too. · Added missing dependency, fixing the unit test reading a file from data / · added working implementations for PartialFilledStructureMerger and CrossoverMachine · added working implementations for PartialFilledStructureMerger and CrossoverMachine · tests for crossover machine and PartialFilledStructureMerger · tests for crossover machine and PartialFilledStructureMerger · added dependency · Fixed use of global isRef variable, to make it threading-safe · Added control 'isref' creating a CML with reaction a |
1.5.1 Dev | Oct 9, 2012 | New Release | · Updated JavaDoc to explicitly state that g2 must be a substructure of g1 · More unit tests for the MCSS problem in bug report 2944080. · Simplified the code using the new 'T read(T)' API used in MDLV2000Reader as defined by the ISimpleChemObjectReader · Updated for the new generics 'T read(T)' API in ISimpleChemObjectReader. · Introduced generics allowing the return type to be identical to the passed argument. It does require implementing classes to be updated with the new API too. · Added missing dependency, fixing the unit test reading a file from data / · added working implementations for PartialFilledStructureMerger and CrossoverMachine · added working implementations for PartialFilledStructureMerger and CrossoverMachine · tests for crossover machine and PartialFilledStructureMerger · tests for crossover machine and PartialFilledStructureMerger · added dependency · Fixed use of global isRef variable, to make it threading-safe · Added control 'isref' creating a CML with reaction a |