Dear RDkitters,
regarding the answer of my last question:
"The conda builds for linux and the mac should have freeSASA support enabled.
At the time we made the release there was a problem building the code on
Windows, so that wasn't there yet.
You can test that it's there by doing:
from rdkit.Ch
Dear RDKit Team,
Firstly, thank you for making such a great tool available to the community and
for continuing to develop it.
I have taken the SMARTS patterns, documented here
[http://www.rdkit.org/docs/GettingStartedInPython.html#feature-definitions-used-in-the-morgan-fingerprints],
for defin
Right you are. Looks like I neglected to update the build scripts there.
When I do the 2017.09.2 release (which is happening soon), I will fix this.
Thanks for pointing out the oversight.
-greg
On Mon, Nov 13, 2017 at 2:46 PM, Bastian Seifert <
bastian.seif...@external.merckgroup.com> wrote:
>
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