Thanks a lot!
It's working for my project!
But, in the later way, STEREOTRANS (STEREOCIS) can be replaced by STEREOE
(STEREOZ), can't it?
I mean it might cause a problem that we consider one of N atom becomes C
atom or both.
Thanks, greg
On Thu, Feb 7, 2019 at 2:31 PM Greg Landrum wrote:
>
Dear RDKitters,
thank you very much for your helpful comments. I just updated conda itself, but
this did not help. Will dig into this further .. stay tuned for updates ..
Cheers,
Paul
Von: Good Eats
Datum: Donnerstag, 7. Februar 2019 um 15:26
An: "Czodrowski, Paul"
Cc: Taka Seri ,
I ran into something similar a Mac running High Sierra. I never got a
straight update to work. The solution was to first explicitly conda
uninstall rdkit, and then reinstall after it had been completely removed.
Best of luck!
On Thu, Feb 7, 2019 at 7:38 AM Czodrowski, Paul <
I've been running the conda version with Python 3.6.6 on a couple of Macs
with no issues.
Pat
On Thu, Feb 7, 2019 at 8:34 AM Greg Landrum wrote:
> Hi Paul,
>
> That looks like some residual of the horrible problems caused by some
> conda changes that happened last year but that were fixed. I
Hi Paul,
That looks like some residual of the horrible problems caused by some conda
changes that happened last year but that were fixed. I would guess that
using a reasonably up-to-date version of conda along with the conda-forge
version of the RDKit with either python 3.6 or 3.7 should work
Dear Taka,
I’m facing trouble with Python3.6 and RDKit on Mac, see here:
https://sourceforge.net/p/rdkit/mailman/message/36415085/
Therefore, I’m unfortunately restricted to stick to Python3.5
I just tried out the conda-forge, but here rdkit is still in the 2018-03
version:
rdkit:
Dear Paul,
Current version of rdkit is provided for python3.6 and 2.7 from anaconda
"rdkit" and "conda-forge" channel.
https://anaconda.org/rdkit/rdkit/files?version=2018.09.1.0
https://anaconda.org/conda-forge/rdkit/files?version=2018.09.1
i recommend you to make python3.6 environment for using
Dear RDKitters,
in my python3.5 conda environment on macOS, I’m running rdkit version
2018.03.3.0. I would like to update it to 2018.09, but simply “conda update
rdkit” or “conda update -c rdkit rdkit” does not help.
Any help/comment would be highly appreciated.
Cheers,
Paul
Wichtiger
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