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Support for metallated proteins #3

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jbellamycarter opened this issue Jun 13, 2022 · 0 comments
Open

Support for metallated proteins #3

jbellamycarter opened this issue Jun 13, 2022 · 0 comments
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enhancement New feature or request

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Problem: Currently, metallated proteins (i.e. proteins with a fixed bound-metal) are not properly supported.

Solution: Explicitly add definable charges (i.e., if a charge is listed in the PDB file, use that), ensuring that the proton placement algorithm accounts for these charges but does not try to change them.
@jbellamycarter jbellamycarter added the enhancement New feature or request label Jun 13, 2022
@jbellamycarter jbellamycarter self-assigned this Jun 13, 2022
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