haddocking / haddock3

Official repo of the modular BioExcel version of HADDOCK
https://www.bonvinlab.org/haddock3
Apache License 2.0
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Add option to keep the existing b-factor in the input PDB #898

Closed amjjbonvin closed 1 month ago

amjjbonvin commented 1 month ago

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Adds the option to keep the existing b-factor in the input PDB files by setting set_bfactor=false in topoaa. b-factors of unknown atoms are assigned the average b-factor of the known atoms per residue

amjjbonvin commented 1 month ago

Looks like I made a mess of those pull requests….

amjjbonvin commented 1 month ago

Should now be fine - please review