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Add pLDDT to pdb files#8

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arogozhnikov merged 2 commits into
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jacques/store-plddt-as-bfactors
Sep 10, 2024
Merged

Add pLDDT to pdb files#8
arogozhnikov merged 2 commits into
mainfrom
jacques/store-plddt-as-bfactors

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@jacquesboitreaud

@jacquesboitreaud jacquesboitreaud commented Sep 10, 2024

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Description

This PR adds per-atom pLDDT scores to B-factor column in output PDB files.
pLDDT scores are in [0,100] range, with 100 indicating perfect predicted LDDT (high model confidence).

@jacquesboitreaud jacquesboitreaud changed the title update output pdbs Add pLDDT to pdb files Sep 10, 2024
@arogozhnikov arogozhnikov merged commit bc5486e into main Sep 10, 2024
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looks great, thx @jacquesboitreaud

@arogozhnikov arogozhnikov deleted the jacques/store-plddt-as-bfactors branch September 11, 2024 02:23
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2 participants