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Hi there!
I'm trying to do some stereoisomers comparison, but I think Kekule is giving me a false negative. The two stereoisomers that I'm comparing are:
![image](https://user-images.githubuserc…
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In the environment where I use vue3 + ts, if I want to use this plug-in, I can only use import. I think the document can only be used in the required format. Ask if there are any other solutions.
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Using the npm module in angular trigger an error in the init() function due to the document being undefined.
There is a stack overflow issue opened 10 months ago.
https://stackoverflow.com/questions…
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- [ ] I believe this to be a bug with Open Babel
- [x] This is a feature request
## Environment Information
Open Babel version: 2.4.1
Operating system and version: macOS High Sierra 10.13.4
Pro…
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We are importing Kekule like below
The size is huge, we only need IO, Editor, and ChemWidget modules.
**There is any way of importing modules with improved bundle sizes?**
Can you provide …
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Hi,
I wanted to create an animation using kekule, by changing coordinates of molecules/atoms.
My question is after updating the coordinates of an atom/node how do I update the viewer to display the…
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@partridgejiang First off, I am huge fan of the project. Thanks for all the work :)
I am using Kekule.Editor.Composer.
1. I want to set the default value of the 'save data' button to smi.
2. I wa…
chj93 updated
2 years ago
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This is in continuation of earlier issue: https://github.com/partridgejiang/Kekule.js/issues/269
The structure insert is working well. No need to edit moodle/lib/weblib.php.
However, the spectrum t…
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## Steps to Reproduce
1. Go to http://partridgejiang.github.io/Kekule.js/demos/demoLauncher.html?id=structCompare
2. Build out the two structures:
![image](https://user-images.githubusercontent.com…
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With a .sdf file generated by openbabel, and submit this to the `sp3_filter`, I always observe two additional, though unwanted trailing lines:
``` shell
$ ./sp3_filter aspirine.sdf -c 1
read mol …