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Hi there,
I was doing the tutorial and ran the command :
prepare_dual_topology.py --config_file=step2.ini
After this I received the error message below. Do you have an idea what could be cau…
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- [X] I believe this to be a bug with Open Babel
## Environment Information
Open Babel version: 3.1.1
Operating system and version: win10, python 3.8 anaconda
## Expected Behavior
mo…
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Hi,
I am currently working on a project where I would like to grid multiple protein pockets (~10 000).
Using the [Grid single molecule](https://gnina.github.io/libmolgrid/tutorials/grid_single_mol…
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- [ ] I believe this to be a bug with Open Babel
## Environment Information
Open Babel version: 3.1.0
Operating system and version: macOS Catalina 10.15.7
## Expected Behavior
I expect my cod…
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Hello,
After updating to the most recent version I got such an issue:
Can you give…
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Dear OpenBabel-Team,
it would be great if you could take a look at the following inconsistency:
- [x] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environmen…
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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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Why is there no direction on the double bonds in the bond section of the output from MolToMolBlock, I'm pretty sure there used to be.
![image](https://user-images.githubusercontent.com/6922018/1326…
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Hello Jenniening,
I installed all the packages and dependencies according to the procedure mentioned in the "readme.md" file.
However, when I tried to run the first test command, the following err…
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While attempting to draw() a smile, I get this error message:
`AttributeError Traceback (most recent call last)
in ()
----> 1 import imolecule as i
2 i.draw("CC…
ghost updated
3 years ago