Hello,
I have started learning RDKit recently and trying a tutorial from a Youtube
video. I am trying RDKit (2020.03.3) on google colab and observed an error
for the following command to draw MorganBits
####
bi = {}
prints = [(glycine, x, bi) for x in fp.GetOnBits()]
Draw.DrawMorganBits(prints, molsPerRow=4, legends=[str(x) for x in
fp.GetOnBits()])
#prints[1]
######
But I get an error for DrawMorganBits
KeyError Traceback (most recent call last)
<ipython-input-61-b317d131df9d> in <module>()
2
3 prints = [(glycine, x, bi) for x in fp.GetOnBits()]
----> 4 Draw.DrawMorganBits(prints, molsPerRow=4, legends=[str(x) for x in
fp.GetOnBits()])
5 #prints[1]
2 frames
/usr/local/lib/python3.6/dist-packages/rdkit/Chem/Draw/IPythonConsole.py in
DrawMorganBits(drawOptions, *args, **kwargs)
246 else:
247 fn = Draw.DrawMorganBits
--> 248 return _DrawBit(fn, *args, drawOptions=drawOptions, **kwargs)
249
250
/usr/local/lib/python3.6/dist-packages/rdkit/Chem/Draw/IPythonConsole.py in
_DrawBit(fn, *args, **kwargs)
204 if 'useSVG' not in kwargs:
205 kwargs['useSVG'] = ipython_useSVG
--> 206 res = fn(*args, **kwargs)
207 if kwargs['useSVG']:
208 return SVG(res)
/usr/local/lib/python3.6/dist-packages/rdkit/Chem/Draw/__init__.py in
DrawMorganBits(tpls, **kwargs)
678 whichExample = 0
679
--> 680 atomId, radius = bitInfo[bitId][whichExample]
681 envs.append((mol, atomId, radius))
682 return DrawMorganEnvs(envs, **kwargs)
KeyError: 1
Please can you suggest what I am missing here? Thanks in advance.
Regards,
Mandar Kulkarni
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