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## Environment Information
Open Babel version: 3.1.0
Operating system and version: M1 Mac running Sonoma 14.5
## Expected Behavior
Expected `obabel -:"CCO.OCC>>CCC" -O output.cdxml --ge…
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- [X] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version:
3.1.0
Operating system and version:
Windows 2004
MACOS 11.…
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- [x] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version: 3.0.0
Operating system and version: CentOS 7
## Expected Be…
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I am a new user, but having trouble getting off the ground. The app crashes whenever I open a pdb file. The only exception so far is that it didn't crash when I opened the sample pdb file, but anythin…
cryos updated
8 years ago
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http://baoilleach.blogspot.co.uk/2015/02/cheminformaticsjs-open-babel.html
Noel is a crazy guy.
dkoes updated
5 years ago
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$ npm install openbabel -g
/
> openbabel@1.2.3 install /home/register/sf_install/node/lib/node_modules/openbabel
> node-gyp rebuild
child_process: customFds option is deprecated, use stdio instead.
…
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When I try to install ChemmineOB from Bioconductor using this command
```
if (!require("BiocManager", quietly = TRUE))
install.packages("BiocManager")
BiocManager::install("ChemmineOB", force…
deb-m updated
3 weeks ago
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Using the npm inside node js tools for visual studio installing outputs :
Registry url: https://registry.npmjs.org/
Current Time: 30.8.2015 г. 1:58:52
Last Refreshed: 10.6.2015 г. 1:39:37
Number of R…
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Openbabel removed isHydrogen function.
So I changed openbabel version to 2.4.1, and the problem is solved.
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I got an error when trying to run the following lines:
```
import oddt
from rdkit import Chem
from rdkit.Chem import AllChem
smi = 'c1ccccc1NCC(=O)OCCCC'
mol = Chem.MolFromSmiles(smi)
mol = Che…