cheminfo / cheminfo/eln-docs

add reference for how openbabel does protonation

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#47 0 comments 0 reactions 0 assignees View on GitHub
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JavaScript
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3
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14
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1h 20m
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1

Description

>add or delete hydrogens and specify a pH at which the molecule should be protonated.

from https://github.com/cheminfo/eln-docs/pull/46

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