[Andres: sorry you're getting two copies of this; I forgot to include the
mailing list on the first one]
Hi Andres,
On Tue, Jun 24, 2014 at 5:43 PM, acanada acan...@cnio.es wrote:
I'm very new to RDKit and the RDKit database cartridge. I'm not chemist so
please my apologize for the simple
Hi Greg,
Thank you very much for your answer! I get what you mean, but still unclear to
me. If for example, I want to draw molecules, in the documentation I need the
sdf file as the input... But instead I have the SMILES How should I
proceed? I thought to translate SMILES to sdf and then
Hello,
I have found the way... using MolToImage
Thank you again!!
Best,
Andrés
from rdkit import Chem
from rdkit.Chem import Draw
def main():
#First we get the parameters
if len(sys.argv) != 4:
return 1
smile=sys.argv[1]
path=sys.argv[2]
image_format=sys.argv[3]
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