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adds a generic remove_residues function (remove by predicate) #10

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merged 1 commit into from
Jan 3, 2021
Merged

adds a generic remove_residues function (remove by predicate) #10

merged 1 commit into from
Jan 3, 2021

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TianyiShi2001
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@TianyiShi2001 TianyiShi2001 commented Jan 3, 2021 •
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This allows, for example, removal of all zinc atoms (which is an example in iotbx, but this implementation will be faster, as iotbx depends on shared pointers (equivalent to Rust's Rc) to do this)

douweschulte
douweschulte approved these changes Jan 3, 2021
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That is a cool extension to the API! I really like the approach. If you have the time feel free to also implement this for the other structs (PDB, Model, and Residue) for its child.

@douweschulte douweschulte mentioned this pull request Jan 3, 2021
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@douweschulte douweschulte merged commit 2bffce5 into douweschulte:master Jan 3, 2021
@TianyiShi2001 TianyiShi2001 deleted the remove_by branch January 3, 2021 15:57
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