On 14/09/2011 14:18, Weerapong Phadungsukanan wrote:
> Dear all,
>
> I found that if the white space characters are found before and not after
> the root ending tag, babel will not be able to read the CML file properly
> (even if they all represent the same molecule). Here is the command I used
> t
Dear all,
I found that if the white space characters are found before and not after
the root ending tag, babel will not be able to read the CML file properly
(even if they all represent the same molecule). Here is the command I used
to comvert the file
babel -icml molecule.cml -osmi molecule.smi
> How do I know if Swig is actually being used?
The development version doesn't include any scripting modules, so if it's even
attempting to compile/link, then it's using swig.
-Geoff
--
BlackBerry® DevCon Americas, Oct.
I have tried having everything locally installed:
cmake ../openbabel -DCMAKE_INSTALL_PREFIX=/home/mirix/openbabel
-DBUILD_GUI=ON -DPYTHON_BINDINGS=ON -DPYTHON_PREFIX=/home/mirix/python
-DRUN_SWIG=ON
-DEIGEN2_INCLUDE_DIR=/home/mirix/Downloads/software/eigen-eigen-2.0.16
-DSWIG_EXECUTABLE=/home/
Thanks Noel.
I have performed a local installation and set the following
environmental variables:
export
PYTHONPATH=/home/prosciens/openbabel/lib/python2.6/site-packages:$PYTHONPATH
export LD_LIBRARY_PATH=/home/prosciens/openbabel/lib:$LD_LIBRARY_PATH
export BABEL_DATADIR=/home/prosciens/openba
I would guess that you are having conflicts between several different
versions of Open Babel or the Python bindings on your computer. I
recommend you install both Open Babel and its bindings locally, set
the appropriate environment variables (e.g. LD_LIBRARY_PATH,
PYTHONPATH and so forth, and try a
