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Remove OXT atom in non-standard residues #62

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merged 1 commit into from
Sep 18, 2024

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jacquesboitreaud
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Description

Predict correct backbones for non-standard protein residues, by removing OXT from the set of predicted atoms.

Motivation

Fix #56

Test plan

Tested locally with PTR, SEP, TPO, ALY.
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@arogozhnikov arogozhnikov merged commit edeb695 into main Sep 18, 2024
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@arogozhnikov arogozhnikov deleted the jacques/rm-terminal-oxt branch September 18, 2024 21:44
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Phosphorylated residues have an additional oxygen
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