Hi Greg,
> The new version of the test code is targeting the 1.2 avalon toolkit
> version.
> Here's the commit that did that.
> https://github.com/rdkit/rdkit/commit/42dab414ee6fbe5489078e5e52046608bbf785cb
>
> As an FYI, to make these tests pass on windows, you need to edit the code
> to f
Hi James,
The new version of the test code is targeting the 1.2 avalon toolkit
version.
Here's the commit that did that.
https://github.com/rdkit/rdkit/commit/42dab414ee6fbe5489078e5e52046608bbf785cb
As an FYI, to make these tests pass on windows, you need to edit the code
to fix a bug:
you need
Hi Greg,
I wondered if you (or anyone else) have been seeing any issues with win64 build
of the RDKit - with Avalon toolkit support - recently?
Yesterday I updated my local SVN copy of RDKit (to rev4274) and rebuilt.
Everything seemed to go ok, but the testAvalonLib1 test is now failing (the
p
HI Greg,
Ideally I’d like the output to be one ring cleaved from the molecule, which
then can be attached to another similar molecule. Nicks code yesterday allowed
me to cleave a ring pretty easily, just have to reattach it now.
Example output would be like this: n1ccc2nc3cc4cc5ccncc5cc4nc3nc2
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