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Should be a very easy fix, for someone that knows where to look.
@alanbchristie will bug @duncanpeacock for pointers.
Here's one version of the user request:
> I was also wondering whether i…
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Continuing with our GO_CHEBI cross-products, I have the following peptides... do these come under ChEBI's domain?
1. enniatin
A class of organic fungal depsipeptides.
2. beta-amyloid
A 36–43aa pepti…
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Hi
Export to png/base64 works fine with kekule moodle atto editor plugin. Is it possible to export as cml or mol data format instead of png? I can then use simple text filter to display the structure…
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Entry of the (albeit inappropriately) flat 2D taxol structure found at NCI/CADD [http://cactus.nci.nih.gov/chemical/structure/taxol/file?format=sdf&get3d=True](http://cactus.nci.nih.gov/chemical/struc…
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Hi,
I have a problem using the SSSearcher with query features where I cannot really explain why it behaves like it does.
Following code snippet:
public class SubstructureSearcherTest {
f…
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**Describe the bug**
When tautomerizing a molecule directly from a specific molfile or its smiles conversion, the behavior is different. And this behavior is extremely dependent on the structure.
…
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Is it possible that ChemExper blocks an IP that sends too many requests? We were running an inventory `Batch processing` with `Read data from suppliers`. The first few entries go fine, then requests s…
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Dear all,
- [x] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version: Open Babel 3.0.0 -- Mar 11 2020 -- 11:52:36
Operating…
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The WarnOnEmptyStructure option is broken since 1.06.
```
InChI version 1, Software v. 1.06 (inchi-1 executable)
Linux 64-bit Build (gcc 4.8.5 20150623 (Red Hat 4.8.5-39)) of Dec 19 2020 21:02:1…
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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(() => {
…