Hello,
I was trying to draw the 2D structure of a molecule inside a python script
(.py). It works with other functions such as MolToSmiles,
FingerPrintMol(),... but somehow the Draw.MolToSmile() function does not
work. It kept throw errors of:
File "PairsFinder.py", line 53, in <module>
Draw.MolToFile(chem,'~/Desktop/work/2018/July/10/500_v2/Chem1_avg7.png')
File "/usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/__init__.py", line
182, in MolToFile
canvas.save()
File "/usr/lib/python2.7/dist-packages/rdkit/Chem/Draw/spingCanvas.py",
line 111, in save
self.canvas.save()
File "/usr/lib/python2.7/dist-packages/rdkit/sping/PIL/pidPIL.py", line
166, in save
self._image.save(filename, format=format)
File "/usr/lib/python2.7/dist-packages/PIL/Image.py", line 1672, in save
fp = builtins.open(filename, "wb")
IOError: [Errno 2] No such file or directory:
'~/Desktop/work/2018/July/10/500_v2/Chem1_avg7.png'
My script is :
chem = Chem.MolFromSmiles('Nc1ccccc1F')
Draw.MolToFile(chem,'~/Desktop/work/2018/July/10/500_v2/Chem1_avg7.png')
Would anyone help me please? How do I run Draw in python script?
Thank you so much for your help
--
Phuong Chau
Smith College '20
Engineering Major
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