README.md 1.31 KB
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Scripts and data to reproduce various plots / tables from the Supporting 
information but also to reproduce the example modification of the modelling
pipeline which is described in the main manuscript.
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1. S1 Fig: Length of modelled loops in homology modelling benchmark
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2. S1 Table: Structural coverage in default StructureDB
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3. Example modification of modelling pipeline
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S1 Fig: Length of modelled loops in homology modelling benchmark
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- fetch the stdout of running  build_promod_models.py in the modelling
  benchmark by executing 
  `pm build_promod_models.py > promod3_modelling_out.txt`
- copy promod3_modelling_out.txt in the same directory as 
  cameo_benchmark_loop_lengths.py
- execute `pm cameo_benchmark_loop_length.py` which creates 
  cameo_benchmark_loop_lengths.png and spits out some numbers

S1 Table: Structural coverage in default StructureDB
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- execute `pm structural_coverage_in_StructureDB.py` to get the values that are 
  displayed in S1 Table. Be aware: the table reports the average values over 3 
  runs of this script. 

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Example modification of modelling pipeline
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Scripts, data and another README are available in the *mod_pipeline* directory.