Hello,
Is there any way to assign information about double bond configuration
(E or Z) and export the structure (with E/Z information) as a SMILES?
I want to find the most stable E/Z-isomer for given SMILES and I wonder to know
how much RDKit can help me.
Regards,
Rafal
--
On Tue, Apr 12, 2016 at 11:51 AM, Gianluca Sforna wrote:
> On Mon, Apr 11, 2016 at 1:20 PM, Greg Landrum wrote:
>> This could be the issue fixed by this PR from Matt Swain:
>> https://github.com/rdkit/rdkit/pull/856
>
> Yeah, that's it. Thanks!
But no joy still
[ 36%] Building CXX object
C
Dear All,
I'm trying to install and run the latest RDKit version (2015_03_1) for Python
2.7 and 32bit windows OS running Win10 from SourceForge.
I'm running into the "ImportError: DLL load failed: %1 is not a valid Win32
application" and the links on the RDKit/docs/install.html for Win7 are not
On Mon, Apr 11, 2016 at 1:20 PM, Greg Landrum wrote:
> This could be the issue fixed by this PR from Matt Swain:
> https://github.com/rdkit/rdkit/pull/856
Yeah, that's it. Thanks!
--
Gianluca Sforna
http://plus.google.com/+gianlucasforna - http://twitter.com/giallu
Tinker Garage - http://tin
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