Bug during topoaa when trying to rename file

haddocking / haddock3

Official repo of the modular BioExcel version of HADDOCK

https://www.bonvinlab.org/haddock3

Apache License 2.0

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Bug during topoaa when trying to rename file #892

Closed VGPReys closed 1 month ago

VGPReys commented 1 month ago

Describe the bug In some cases, topoaa can fail generating pdb/topology for a given model. If the input pdb file is an ensemble, it can lead to a bug when tried to rename it.

Expected behavior Should run smoothly. Do not rename the file if not exists !