PageRenderTime 136ms CodeModel.GetById 60ms app.highlight 14ms RepoModel.GetById 57ms app.codeStats 0ms

/rcdk/NEWS

http://github.com/rajarshi/cdkr
#! | 15 lines | 11 code | 4 blank | 0 comment | 0 complexity | 9e8374699bf7cf3b073d74e73e3c2692 MD5 | raw file
 1v3.3.5 - update to work with CDK 1.5.13 with the new Depiction module
 2
 3v2.9 - Updated to the new package structure where the CDK libs are removed.
 4As a result, this package now depends on the rcdklibs package
 5
 6v2.8.1 - Fixed typos in the docs
 7
 8v2.8 - Updated code to provide accessors for atoms and bonds of a molecule. 
 9Also provide methods to access atom and bond properties. Currently, setters
10for these objects are not provided
11
12v2.7 - Removed support for JChemPaint due to it being in flux at this point. Also 
13removed support for viewing tables of 3D structures. Restructured the descriptor
14functions to utilize descriptor names and i general make descriptor calculations
15more R-like