Hi Jozsef,
Have a look at this thread, it might help you (at least it did the trick
to me):
https://www.mail-archive.com/[email protected]/msg04289.html
Cheers,
Grégori
On 29. 10. 14 12:18, Jozsef Csontos wrote:
Dear All,
I'm very new to rdkit, so please be patient:)
I installed the package from github and everything went smoothly.
When I run the following code as an ordinary user, it works just fine:
/from rdkit.Chem import Draw,rdChemReactions//
//
//def RxnToImage(reaction)://
// rxn = rdChemReactions.ReactionFromSmarts(reaction)//
// rdkit_img = Draw.ReactionToImage(rxn)//
// rdkit_img.save('../temp/Rxn_image.png')//
//
//if __name__=='__main__' ://
//
// RxnToImage('CC(=O)O.OCC>>CC(=O)OCC')
/However, when I try to call it from a browser it reports that
/<type 'exceptions.ImportError'>: No module named rdkit.Chem //
// args = ('No module named rdkit.Chem',) //
// message = 'No module named rdkit.Chem'
/It is my understanding that the error has something to do with the
PYTHONPATH variable/./How should I install rdkit to become part of the
standard python ecosystem, I mean the /usr/lib/pythonx.y/site-packages
| dist-packages?
/
/My aim is to use rdkit with postgresql as a backend for a webservice
where people could look up and store chemical reactions and some of
their properties.//I'm also planning to rely on web2py or django.
What would be the best (and hopefully the easiest) way to accomplish
this project?
I really appreciate your feedback.
All the best,
Jozsef
/
/
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