Hi Bob,
On Tue, 7 Mar 2017 at 02:21, Bob Funchess wrote:
> I am trying to build the latest version of RDKit with Anaconda3-2.5.0 and
> it’s failing with the following error:
>
I will try to look into the specific problem over h next few days, but a
quick one: do you need to do the conda build y
Hi All,
I am trying to build the latest version of RDKit with Anaconda3-2.5.0 and
it’s failing with the following error:
Creating library pyAvalonTools.lib and object pyAvalonTools.exp
pyAvalonTools.cpp.obj : error LNK2019: unresolved external symbol "class
ExplicitBitVect const volatile
The SMARTS definitions for many types of functional groups is here:
http://www.daylight.com/dayhtml_tutorials/languages/smarts/smarts_examples.html
Note that some are disputed, but since this comes from the source, I tend
to go here first.
Cheers,
Brian
On Mon, Mar 6, 2017 at 3:23 AM, Chenyang
Hongbin and Greg,
Thank you both for kind suggestions. I will try both approaches and report
my progress later.
Best,
Chenyang
On Monday, March 6, 2017, Greg Landrum wrote:
> The solution that Hongbin proposes to the double-counting problem is a
> good one. Just be sure to sort your substructure
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