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X-lab-3D / PANDORA

MODELLER-based, anchor restrained, Peptide-MHC Modelling pipeline
Apache License 2.0
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Renumbering the templates before calculating the anchors leads to wrong anchor calculation #146

Open DarioMarzella opened 2 years ago

DarioMarzella commented 2 years ago

In Database_functions.parse_pMHCI_pdb the template structures are renumbered before calculating the anchors, which is done only when defining the PMHC.Template object. This causes a few templates, like 7EU2 to have the wrong anchors identified, such as [7,8].

@derekvantilborg could you have the time to fix it?

derekvantilborg commented 2 years ago

I'm afraid I don't have time. Cheers, Derek

On Tue, 5 Jul 2022 at 18:51, Dario Marzella @.***> wrote:

In Database_functions.parse_pMHCI_pdb the template structures are renumbered before calculating the anchors, which is done only when defining the PMHC.Template object. This causes a few templates, like 7EU2 to have the wrong anchors identified, such as [7,8].

@derekvantilborg https://github.com/derekvantilborg could you have the time to fix it?

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