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connorcoley / rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling
MIT License
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template_extractor #25

Open acquaregia opened 3 years ago

acquaregia commented 3 years ago

Good morning, unpon installing the pip package pip install rdchiral the version 1.0.0 ins installed

among the installed modules I miss template_extractor.py

I see that there is a commit where this should be addressed, "make template_extractor able to be imported" mybe not updated in the installable via pip.

Is there a reason for this? otherwise can you please make it importable upon pip rdchiral install? import rdchiral from rdchiral import template_extractor

Thanks a lot in advance,

Kind regards, marco

thomasstruble commented 3 years ago

Use pip install -e "git://github.com/connorcoley/rdchiral.git#egg=rdchiral" for now. I will push another pip version today if I can get around to it. The above command should work in the meantime

acquaregia commented 3 years ago

Thanks, Thomas, will do.

cheers, marco

Il giorno gio 27 mag 2021 alle ore 14:02 Thomas Struble < @.***> ha scritto:

Use pip install -e "git://github.com/connorcoley/rdchiral.git#egg=rdchiral" for now. I will push another pip version today if I can get around to it. The above command should work in the meantime

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