Hi Michał,
On Thu, Nov 8, 2012 at 6:21 PM, Michał Nowotka wrote:
> I would like to install rdkit in such a way, I don't have to append anything
> to LD_LIBRARY_PATH.
I'm not a Ubuntu user so I don't know/remember the details, but I
think RDKit deb distribution packages for Ubuntu are periodicall
On Thu, Nov 8, 2012 at 4:56 PM, JP wrote:
> I am, allegedly, a computer scientist, and I should know that counting
> starts from 0.
>
Actually, after being bitten by this more than once, I started to use a
convention in my own code so that diagnostic/erorr messages to be read
by humans show atom i
Hi Michal,
I don't think it will work, at least with Python since it requires the
RDKit directory in PYTHONPATH and RDKit/lib is required in LD_LIBRARY_PATH
in order that Python can find the library files created when building
RDKit.
Regards,
Christos Kannas
Sent from my Galaxy Note!
On Nov 8,
Hello,
I would like to install rdkit in such a way, I don't have to append
anything to LD_LIBRARY_PATH.
If I do:
export RDBASE=/usr/lib
and run cmake & make & make install
would that do the trick?
Kind regards,
Michal Nowotka
--
Please disregard this "bad hair day" message.
I am, allegedly, a computer scientist, and I should know that counting
starts from 0.
Bleh, Sorry,
-
Jean-Paul Ebejer
Early Stage Researcher
On 8 November 2012 15:33, JP wrote:
> Hi there RDkitters,
>
> Poll season: Does anyone else feel the need f
Hi there RDkitters,
Poll season: Does anyone else feel the need for more informative error messages?
For example the below code gives me:
[15:25:17] non-ring atom 22 marked aromatic
But which is atom 22 ? Any ideas?
Is it possible to have the equivalent atom rank/index in the file?
I tried th
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