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binder design shell script error #297

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ppxwwtaking opened this issue Nov 20, 2024 · 0 comments
Open

binder design shell script error #297

ppxwwtaking opened this issue Nov 20, 2024 · 0 comments

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@ppxwwtaking
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ppxwwtaking commented Nov 20, 2024

  1. design_ppi.sh and design_ppi_flexible_peptide.sh
    assert any(x is not None for x in (conf.contigmap.inpaint_str_helix, conf.contigmap.inpaint_str_strand, conf.contigmap.inpaint_str_loop))
    AssertionError
    This means we need to provide these configs in the shell scripts.
  2. design_ppi_flexible_peptide_with_secondarystructure_specification.sh
    works.
  3. design_ppi_scaffolded.sh
    config error, solved by following Error in latest commit #273.
  4. All partial design shell scripts fail to work with same error as in 1.

RFdiffusion/rfdiffusion/inference/model_runners.py", line 745, in init
assert any(x is not None for x in (conf.contigmap.inpaint_str_helix, conf.contigmap.inpaint_str_strand, conf.contigmap.inpaint_str_loop))

I believe scripts in 1 are simple uses for binder design without specifying the secondary structure. But now they don't work as expected. I don't want to change every design to something like 3. Possibly some changes globally affected the parse or some if statements. Please check.

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