On Thu, May 24, 2012 at 3:38 AM, Andrew Dalke da...@dalkescientific.com wrote:
I would like to save the fragment to an SD file. This seems
reasonable on the surface. But I don't know enough about the SD
file to know how meaningful that is. (For example, the above as
a 'fragment SMILES' is
On Thu, May 24, 2012 at 3:38 AM, Andrew Dalke da...@dalkescientific.com wrote:
I would like to save the fragment to an SD file. This seems
reasonable on the surface. But I don't know enough about the SD
file to know how meaningful that is. (For example, the above as
a 'fragment SMILES' is
I forgot to send this earlier: I moved the new stuff off onto a
branch; the trunk in svn is now once again passing all tests.
-greg
On Tue, May 22, 2012 at 6:13 AM, Greg Landrum greg.land...@gmail.com wrote:
Dear all,
This weekend I added a new feature to the RDKit trunk that ended up
being
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