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rfe protocol: Adds bfactor labels to output topology #499

Merged
merged 4 commits into from
Aug 10, 2023
Merged

rfe protocol: Adds bfactor labels to output topology #499

merged 4 commits into from
Aug 10, 2023

Commits on Jul 20, 2023

  1. label atoms in output pdb using bfactor column 

    0.25 for unique A
0.50 for core
0.75 for unique B
    @richardjgowers
    richardjgowers committed Jul 20, 2023
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  2. use _atoms_classes from HTF to output pdb

    @richardjgowers
    richardjgowers committed Jul 20, 2023
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  3. whatever

    @richardjgowers
    richardjgowers committed Jul 20, 2023
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Commits on Aug 10, 2023

  1. Merge branch 'main' into bfactor_labels

    @IAlibay
    IAlibay authored Aug 10, 2023
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