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asap-modeling | failed de-duplication of multiple ligands from input prep structures #1030

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apayne97 opened this issue May 2, 2024 · 0 comments
Open

asap-modeling | failed de-duplication of multiple ligands from input prep structures #1030

apayne97 opened this issue May 2, 2024 · 0 comments
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protein prep

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@apayne97
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apayne97 commented May 2, 2024

in our mpro_fragalysis-04-01-24_cache, Mpro-P0097_0A ligand MAT-POS-5d65ec79-1 is present in two copies.

I thought we had previously fixed this so that only one ligand is returned from prep, but this isn't currently happening
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