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Mass editing of atom types in species #1836

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trisyoungs opened this issue Apr 8, 2024 · 0 comments
Open

Mass editing of atom types in species #1836

trisyoungs opened this issue Apr 8, 2024 · 0 comments
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Scope: Workflow Affects general workflow or operation Type: Enhancement Enhancement for existing feature
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@trisyoungs
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Describe the feature / issue
Manually-assigning atom types to individual species atoms is straightforward enough, but doing so for all of a given atom type in large molecule is tedious to say the least.

We should add some kind of option to allow atom types to be reassigned / remapped en masse, perhaps as a standalone dialog which can calculate resulting total charge etc.
@trisyoungs trisyoungs added Type: Enhancement Enhancement for existing feature Scope: Workflow Affects general workflow or operation labels Apr 8, 2024
@github-actions github-actions bot added this to Workflow in Overview Apr 8, 2024
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@trisyoungs