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Partial charges on elements #315

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cleblond opened this issue Jan 4, 2024 · 4 comments
Open

Partial charges on elements #315

cleblond opened this issue Jan 4, 2024 · 4 comments

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@cleblond
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cleblond commented Jan 4, 2024

Hi,
Is it possible to apply partial charges on atoms in composer?
For example in transition states you would use δ+ or δ-.
Thank you.
Carl

@partridgejiang
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Precise partial charge is actually supported (e.g. 0.5+, 0.3-) but δ+/δ- is not. I'll try to add this feature soon. Currently, you may use the text tool to add non-semantic δ+ or δ- label, :).

@cleblond
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cleblond commented Jan 5, 2024

Yes, I was able to use the text tool. Thank you!

@partridgejiang
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Now the semantic δ+/δ- can be input by the charge tool in editor, please check the latest dist, :).

@cleblond
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cleblond commented Jan 8, 2024

Works and looks great!
Thank you!

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