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Hi, I'm loading a mol file without hydrogens but kekule still show hydrogens with some nitrogens and oxygens. Is there any way to show the molecule without these hydrogens added by kekule?
Here is …
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If I create some objects in composer in a composer on a big display and then I load those objects into a composer on a smaller display some of the objects are off the page and cannot be scrolled to. …
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Any plans to add support for electron pushing/curved arrows as would be used in organic reaction mechanisms?
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Currently only molecules can be analyzed. Extension to systems with periodicity in 1D or 2D could be very powerful.
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**Configuration:**
- RDKit Version: 2018.09.1
- Operating system: Windows10 subsystem linux debian
- Python version (if relevant):
- Are you using conda?
- If you are using conda, wh…
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Related to #81
Seeing similar but slightly different behavior after original issue was addressed. See attached image below.
:3.7.4
- Are you using conda? Yes
- If you are using conda, which cha…
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**[Original report](https://bitbucket.org/dan2097/opsin/issue/30) by Steve Chapman (Bitbucket: [isomerdesign](https://bitbucket.org/isomerdesign), ).**
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I tri…
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Could I load data of `.cdxml` format?
Addtionally, When I load `.cdx` format data, it generates the error.
Also. `.smi` generates error too.
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Hi all,
first thing first terrific work, lovely.
Now I do have a couple of question/suggestions
- When the reagents are defined [here](https://github.com/PatWalters/TS/blob/main/reagent.py) wou…