bioclipse/bioclipse.cheminformatics — pull request #43 by egonw (2014-01-07 19:36:52+00:00)
Title: Added getRecord(int) to get the original file content

Arvid, I have a use case where I like to extract particular entries, for which your index is really handy. However, to ensure the CDK does not mess up anything, I like access to the original MDL molfile (and props)... and since the "input" already does that, I just wrap it...