Reinstalled and
>>>import rdkit.Chem
seems to work fine. Still fails a bunch of tests but it seems to work
alright regardless.
On Wed, Feb 11, 2015 at 2:02 PM, Dante wrote:
> The RDKit so files seem to be in the correct place, in /usr/lib/...they
> dont have dates on them per se, just the ext
Hi,
I printed some moecules with the Draw module of rdkit and generated some useful
figures.
I noticed that for some elements the contrast to white is very low.
Therefore, I suggest to change the default colors to the darker versions.
E.g. darkyellow instead of yellow for sulfur
and darkcyan in
Are the RDKit .so files referred to below the ones that you think you
should be using?
Are the dates on them right and are they sitting in the directory where
your make install procedure put them?
-greg
On Wednesday, February 11, 2015, Dante wrote:
> Hi Greg,
>
> Thanks for the quick reply---yo
Hi Greg,
Thanks for the quick reply---you are absolutely right, the new version
builds just fine. However, I now have the following issue:
>>> from rdkit import Chem
Traceback (most recent call last):
File "", line 1, in
File "/usr/lib/python2.7/dist-packages/RDKit/rdkit/Chem/__init__.py",
Hi Dante,
Looks like you are trying to build a fairly old version of the RDKit. Newer
versions no longer require the flex/bison step, so if you could switch to
one of those I think it would make your life easier.
-greg
On Wed, Feb 11, 2015 at 4:35 AM, Dante wrote:
> Hello,
>
> I am trying to i
Hello,
I am trying to install rdkit on Ubuntu 14.04, and am building from source
so I can get the inchi functionality. When I run make, I get:
[ 24%] Building CXX object
Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o
smiles.yy:25:1: warning: "YYDEBUG" redefined
In file i
6 matches
Mail list logo
