Thanks, everyone, for the ideas and suggestions.
The easiest thing we have come up with so far, in case this helps anyone else,
is to find the shortcut to PyCharm in your Windows Start Menu folder, create a
copy of it called something like "PyCharm - your_env" and edit the target so
that
Dear RDKiters,
I would like to be able to generate all Kekule forms or resonance isomers of a
species.
Eg. starting with
I would like to generate both of these
Is this possible with RDKit? How would you do it?
For systems like this I can think of a hacky work-around to post-process the
On Aug 5, 2013, at 2:58 AM, Greg Landrum greg.land...@gmail.com wrote:
On Fri, Aug 2, 2013 at 11:34 PM, Gianluca Sforna gia...@gmail.com wrote:
On Fri, Aug 2, 2013 at 9:35 PM, Richard West r.h.w...@gmail.com wrote:
1) Is there any hope of getting a version with InChI into the Ubuntu
Installing RDKit on Ubuntu for my first time I was excited to see it might be
as simple as sudo apt-get install python-rdkit librdkit1 rdkit-data, but then
discovered that I didn't have InChI support.
1) Is there any hope of getting a version with InChI into the Ubuntu
repositories?
2) Is
4 matches
Mail list logo
