An update on this thread:
On Tue, Jun 19, 2012 at 9:19 AM, Adrian Jasiński
jasinski.adr...@gmail.com wrote:
There is some example code:
from rdkit import Chem
from rdkit.Chem import Draw
mol = Chem.MolFromSmiles('CC(=O)Nc1c1C(=O)C11C1C1')
Draw.MolToFile(mol,'test.png')
I made
Thanks for that, I hope it will help. I will wait for next release and
check other structures drawing.
Unfortunately I can't publish all structures with errors (for security
reasons), but I will try next version and I let you know if I will
find any similar errors.
2012/7/2 Greg Landrum
I have many others examples where I have found overlapping. Even rings
overlap in some of them.
It will be nice if it will be fixed for next realize.
Best Regards
Adrian
2012/6/20 Greg Landrum greg.land...@gmail.com:
Dear Adrian,
On Tue, Jun 19, 2012 at 9:19 AM, Adrian Jasiński
Hi All
I have some problem with drawing. When I draw molecules using RDkit
sometimes I have some structure overlap.
But when I draw it using for example marvin it's look fine.
There is some example code:
from rdkit import Chem
from rdkit.Chem import Draw
mol =
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