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This repository was archived by the owner on Jan 22, 2026. It is now read-only.
This repository was archived by the owner on Jan 22, 2026. It is now read-only.

double occupancies cause disvis to fail with misleading error #18

@schaarj

Description

@schaarj

Specifying residues with multiple occupancies e.g.

ATOM      5  CA AARG A   1  ...
ATOM      6  CA BARG A   1  ...

in the interaction analysis causes Disvis to fail with following error:

ValueError: Some selected residues where not found in the PDB file. Please check your input residues.

This should probably either not fail at all or fail with a more specific error message.

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