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There are two (conflicting) licences available:
https://github.com/IUPAC-InChI/InChI_1_06/blob/master/LICENCE.pdf
(which currently does not display correctly but works via download)
![image](https:…
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Hi ChEBI team,
based on https://github.com/ebi-chebi/ChEBI/issues/4364 I decided to run some queries on ubergraph to check for more potential duplicates. I've spot checked a few terms from the quer…
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There's three slightly different molecular structures that any one compound could have. I'm also aware that there is an intention of having different compound uuids to represent various states of the…
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## Environment Information
Open Babel version: 2f34bda337d7ddefa8f2bebfc23931a63e45241f
Operating system and version: Debian 11.3
## Expected Behavior
When output format of `obabel` is `…
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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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When I use Indigo to draw compounds with amide (such as L-glutamine or L-asparagine) using InChI as the input, the double bond is between the C=N instead of C=O.
For example the InChI for L-glutami…
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In `collapseRow()`, collapse all fields into one single column:
| ChEBI annotations |
| ------------------------------------------- |
| accession=id1,mass=10.23,inchi=.../…
pkrog updated
4 years ago
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Hi,
Some of the compound names are missing in cleaned database. See an example below. It would be good to fill this out. Thanks.
Shipei
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**Is your feature request related to a problem? Please describe.**
Creating a Topology requires you to provide bond orders and formal charges. Sometimes that information is not available, like when …
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From @rajeshdparmar
> Created new species: C15H28O5(7621)
> Created new forwards 1,3_Insertion_CO2 reaction: CO2(28) + C14H28O3(7186) --> C15H28O5(7621)
> CRITICAL: Congratulations! You appear to hav…
rwest updated
9 years ago