/rcdk/NEWS

http://github.com/rajarshi/cdkr · #! · 15 lines · 11 code · 4 blank · 0 comment · 0 complexity · 9e8374699bf7cf3b073d74e73e3c2692 MD5 · raw file 

    

  1. v3.3.5 - update to work with CDK 1.5.13 with the new Depiction module
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  3. v2.9 - Updated to the new package structure where the CDK libs are removed.
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  4. As a result, this package now depends on the rcdklibs package
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  6. v2.8.1 - Fixed typos in the docs
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  8. v2.8 - Updated code to provide accessors for atoms and bonds of a molecule. 
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  9. Also provide methods to access atom and bond properties. Currently, setters
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  10. for these objects are not provided
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  12. v2.7 - Removed support for JChemPaint due to it being in flux at this point. Also 
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  13. removed support for viewing tables of 3D structures. Restructured the descriptor
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  14. functions to utilize descriptor names and i general make descriptor calculations
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  15. more R-like
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