AttributeError: 'MolDraw2DSVG' object has no attribute 'SetDrawOptions'
See original GitHub issueimport pandas as pd
import mols2grid
smiles = ["CCO", "c1ccccc1", "N", "CO", "O=S(=O)(-O)(-O)", "CCC", "CCC=O"]
df = pd.DataFrame({"smi": smiles,
"id": range(1, len(smiles) + 1)})
mg = mols2grid.MolGrid(df, smiles_col="smi", size=(110, 90))
mg.display(subset=["id", "img"], n_cols=7)
I was trying to visualize a list of SMILES, as shown in your colab. But I got the following error message.
---------------------------------------------------------------------------
AttributeError Traceback (most recent call last)
<ipython-input-26-cbf1ce952db4> in <module>
7 "id": range(1, len(smiles) + 1)})
8 # setup the grid
----> 9 mg = mols2grid.MolGrid(df, smiles_col="smi", size=(110, 90))
10 mg.display(subset=["id", "img"], n_cols=7)
~/anaconda3/lib/python3.7/site-packages/mols2grid/molgrid.py in __init__(self, df, smiles_col, mol_col, coordGen, useSVG, mapping, **kwargs)
74 dataframe.dropna(axis=0, subset=[mol_col], inplace=True)
75 # generate drawings
---> 76 dataframe["img"] = dataframe[mol_col].apply(self.mol_to_img, **kwargs)
77 self.dataframe = dataframe
78 self.mol_col = mol_col
~/anaconda3/lib/python3.7/site-packages/pandas/core/series.py in apply(self, func, convert_dtype, args, **kwds)
4133 else:
4134 values = self.astype(object)._values
-> 4135 mapped = lib.map_infer(values, f, convert=convert_dtype)
4136
4137 if len(mapped) and isinstance(mapped[0], Series):
pandas/_libs/lib.pyx in pandas._libs.lib.map_infer()
~/anaconda3/lib/python3.7/site-packages/pandas/core/series.py in f(x)
4118
4119 def f(x):
-> 4120 return func(x, *args, **kwds)
4121
4122 else:
~/anaconda3/lib/python3.7/site-packages/mols2grid/molgrid.py in mol_to_img(self, mol, **kwargs)
170 """Convert an RDKit mol to an HTML img tag containing a drawing of the
171 molecule"""
--> 172 img = self.draw_mol(mol, **kwargs)
173 if self.useSVG:
174 return img
~/anaconda3/lib/python3.7/site-packages/mols2grid/molgrid.py in draw_mol(self, mol, size, use_coords, MolDrawOptions, **kwargs)
158 for key, value in kwargs.items():
159 setattr(MolDrawOptions, key, value)
--> 160 d2d.SetDrawOptions(MolDrawOptions)
161 if not use_coords:
162 mol = deepcopy(mol)
AttributeError: 'MolDraw2DSVG' object has no attribute 'SetDrawOptions'
could you please take a look maybe? Thanks!
Issue Analytics
- State:
- Created 2 years ago
- Comments:8 (5 by maintainers)
Top Results From Across the Web
AttributeError: module 'rdkit.Chem.Draw.rdMolDraw2D' has no ...
but now I am getting: AttributeError: module 'rdkit.Chem.Draw.rdMolDraw2D' has no attribute 'MolDraw2DCairo' and when I look at rdkit.Chem.
Read more >rdkit.Chem.Draw.rdMolDraw2D module
Generates and draws contours for data on a grid. drawer: the MolDraw2D object to use. data: numpy array with the data to be...
Read more >AttributeError: 'Start' object has no attribute 'draw'
I am trying to set up a start game sprite that when you collide with it and press a button it will switch...
Read more >Cédric Bouysset - ProLIF
The visualisation notebook now displays the protein with py3Dmol. Some examples for creating and displaying.
Read more >New drawing options in the 2020.03 release - RDKit blog
You may not have developers working in your organization, ... Let's start by drawing a molecule using a MolDraw2DSVG() object: In [2]:.
Read more >
Top Related Medium Post
No results found
Top Related StackOverflow Question
No results found
Troubleshoot Live Code
Lightrun enables developers to add logs, metrics and snapshots to live code - no restarts or redeploys required.
Start Free
Top Related Reddit Thread
No results found
Top Related Hackernoon Post
No results found
Top Related Tweet
No results found
Top Related Dev.to Post
No results found
Top Related Hashnode Post
No results found
Hi, thank you very much! After updating RDKit to 2020.09.1.0, the script works well for me (sorry for the sluggish feedback, I don’t know why but my desktop takes a very long time to uninstall old RDKit vai conda:))
I’ve updated the installation instructions on the readme file with the correct rdkit version.
If you install mols2grid from conda the correct rdkit version will now automatically be installed, which closes this issue.