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hi Partridge,
How do I load a smiles string? I followed this git hub issue: [link](https://github.com/partridgejiang/Kekule.js/issues/250)
```javascript
Kekule.OpenBabel.enable(() => {
…
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### Problem description
In **openbabel** Only one format is showing other `formats` are missing
![Screenshot_20230813-201216](https://github.com/termux/termux-packages/assets/104101867/847fb8d9-6…
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Would be highly useful to be able to generate, e.g., .xyz files rotated to some sort of particular orientation, as well as just to write OpenBabel files in general.
Anticipate siting in `opan.utils`,…
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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: 3.1.1.1
Operating system and version: ubuntu 16.04
## Expected …
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I tried building the app from sources and it seemed okay, but I keep getting the following error:
forcefields is not a recognized plugin type. Those with instances of sub-types loaded are:
ops
WA…
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When I use smiles to generate structs,i use this function:
Kekule.OpenBabel.enable(() => {
chemComposer.getEditor().setChemObjData('{"format": "smi", "data": "'+ smiles +'"}');
});
it will lo…
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I am using Linuxmint 19.2
I set the pat as per instruction . I received following error.
(base) kimlab@kimlab:/media/kimlab/D_Drive/Software/LIGSIFT-master$ make -j5
g++ -c -O3 -Wall -I/usr/local…
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### Zig Version
0.12.0-dev.2341+92211135f
### Steps to Reproduce and Observed Behavior
I am trying to build some scientific tooling using `zig` so that I can have static binaries for a couple…
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## Environment Information
Open Babel version: 3.1.1
Operating system and version: Linux
## Expected Behavior
## Actual Behavior
## Steps to Reproduce
When I gen3D for 100…
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Hi,
I installed MultiPredict as https://multirefpredict.readthedocs.io/en/latest/installation.html (`cd dev_tools/conda_envs` is `cd dev_tools/condaenvs` in my installation)
If I install ju…