Dear Andrew,
thanks for the follow-up!
The situation is getting complicated, since your hack did not help.
This is the new code
"
if __name__=='__main__':
import sys
from rdkit import Chem
from rdkit.Chem import AllChem
from rdkit.Chem import Draw
from rdkit.Chem.Draw import MolDrawing
MolDrawing.MolDrawing.atomLabelFontFace = "sansserif"
smi = open(sys.argv[1]).readlines()[0].rstrip()
outF = sys.argv[2]
mol = Chem.MolFromSmiles(smi)
AllChem.Compute2DCoords(mol)
Draw.MolToImageFile(mol, outF)
"
And this is the new error message:
"
File "rdkit_smi2png.py", line 14, in <module>
Draw.MolToImageFile(mol, outF)
File
"/SW/python/x86_64_cs4/2.7/lib/python2.7/site-packages/rdkit/Chem/Draw/__init__.py",
line 142, in MolToImageFile
img = MolToImage
(mol,size=size,kekulize=kekulize,wedgeBonds=wedgeBonds,**kwargs)
File
"/SW/python/x86_64_cs4/2.7/lib/python2.7/site-packages/rdkit/Chem/Draw/__init__.py",
line 82, in MolToImage
drawer.AddMol(mol,**kwargs)
File
"/SW/python/x86_64_cs4/2.7/lib/python2.7/site-packages/rdkit/Chem/Draw/MolDrawing.py",
line 463, in AddMol
self._drawLabel(symbol, pos, font, color=color,orientation=orient)
File
"/SW/python/x86_64_cs4/2.7/lib/python2.7/site-packages/rdkit/Chem/Draw/MolDrawing.py",
line 279, in _drawLabel
self.canvas.addCanvasText(label,(x1,y1),font,color,**kwargs)
File
"/SW/python/x86_64_cs4/2.7/lib/python2.7/site-packages/rdkit/Chem/Draw/spingCanvas.py",
line 67, in addCanvasText
font = pid.Font(face=faceMap[font.face],size=font.size)
KeyError: 'sansserif'
"
Does this mean that there is no PIL sansserif font installed?
Cheers & Thanks,
Paul
> > What font are you using?
>
>
> Ahh, you showed the code. It uses the default, which is from
> rdkit/Chem/Draw/MolDrawing.py and is "sans"
>
> Could you try this?
>
> from rdkit.Chem.Draw import MolDrawing
> MolDrawing.MolDrawing.atomLabelFontFace = "sansserif"
>
> This forces the default to be "sansserif" instead of "sans"
>
> If this works, then the fix for RDKit is either to change
> the setting in MolDrawing to "sansserif" or to change
>
> rdkit/sping/PIL/pidPIL.py:
>
> def _pilFontPath(face,size,bold=0):
> if face == 'monospaced': face = 'courier'
> elif face == 'serif': face = 'times'
> elif face == 'sansserif' or face == 'system': face = 'helvetica'
>
> so that "face == 'sans'" is another alias for helvetica.
>
> Cheers,
>
> Andrew
> [email protected]
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