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Hi,
I was running Protein_ligand module.
While I was running to provide input files, there was an error message saying pybel that it cannot import pybel.
Also, when I tried to "Enumerate Ster…
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An possible error has been noticed, still working on it
```
ValueError Traceback (most recent call last)
[](https://localhost:8080/#) in
34 ppdb.to_pdb(p…
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Hi,
I get error messages as below just recently;
---------------------------------------------------------------------------
ModuleNotFoundError Traceback (most recent call …
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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [x] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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I think this has not been done, as exemplified in #433.
Before this, we should align ourselves about the breaking changes, discussed in #426
ToDo:
- [x] #447
- [x] #449
- [x] #452
- [x] …
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Hello,
Is it possible to obtain 3d descriptors from only atoms and XYZ coordinates, without smiles?
I have many XYZ files but no corresponding smiles.
I tried to automatically produce smiles u…
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* [x] See if I can politely ask rdkit to maintain stereocenters - probably yes but nontrivial
* [x] See if I can hardcode an atom as a stereocenter using rdkit - also probably yes but undesirable…
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Dear author
When I run the program, a bug occurred, how I solve this problem "
aligner = pybel.ob.OBAlign()
AttributeError: module 'openbabel.openbabel' has no attribute 'OBAlig"
“.
T…
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## Automated report
_This issue was created with the app's automated bug reporting feature.
Attached to this issue is the full traceback as well as an environment
fingerprint that contains inform…
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### Comment:
Hi,
I met the issue `cannot import name 'pybel' from 'openbabel'`. I am following the intruction for installation using :
```
conda config --add channels conda-forge
conda config…