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- [x] I believe this to be a bug with Open Babel
## Environment Information
`conda info`
```
active environment : mnx
active env location : ~/.local/share/miniconda3/envs/mnx
…
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1. If there are no ligands in the PDB file, a leap error will occur (1GBG as an example):
*** Error: tl_getline(): not interactive, use stdio.
2. Error occurs using PDB2FF (3WIW):
Traceback (…
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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: 3.1.1
Python version: 3.8.2
Operating system and version: Mac OS …
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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: 2.4.1
Operating system and version: OS X 10.10.5
## Expected Be…
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When converting to mol2 format residue name is appended with "1" each time conversion is performed.
- [x] I believe this to be a bug with Open Babel
## Environment Information
Open Babel versio…
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I'm wondering why the list of input file types is limited to SDF, MOL, MOL2, CML, InChI and SMILES? I would like to convert pdb to sdf which is possible on the commandline.
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- [x] I believe this to be a bug with Open Babel
- [ ] This is a feature request
I want to obtain 3D coordinates for a ring-containing molecule, e.g. cyclohexane. For this I use the following code…
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Some smarts patterns are no more recognised after calling AddHydrogens(), like acetal, aminal and thioacetal smarts found on http://ligand-expo.rcsb.org/dictionaries/fp_patterns.txt.
Other smarts, li…
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It's nice that we can serialize the entirety of a database to a BEL file, but often, we only want the parts that are relevant to a pre-existing BEL network. We need a function that extracts the protei…
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**Is your feature request related to a problem? Please describe.**
A clear and concise description of what the problem is. Ex. I'm always frustrated when [...]
**Describe the solution you'd like**…