Thank you so much!
On Tue, Jul 10, 2018 at 4:33 PM, Malitha Kabir <malitha12...@gmail.com>
wrote:
> Hi,
>
> Probably the designated folder is missing. So, rdkit cannot create the
> file in specified path. Thanks.
>
> - malitha
>
> On Wed, Jul 11, 2018, 5:46 AM Phuong Chau <pc...@smith.edu> wrote:
>
>> 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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>>
>
--
Phuong Chau
Smith College '20
Engineering Major
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