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scripts : TODO #100

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chantalprevost opened this issue Aug 8, 2017 · 0 comments
Open

scripts : TODO #100

chantalprevost opened this issue Aug 8, 2017 · 0 comments
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@chantalprevost
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Docking scripts

  • irmsd.py : applies to atomic models by default -> this should be changed to default=coarse-grained
    does not superpose the interfaces by default -> idem, switch the default to the contrary
  • fnat.py : only applies to coarse-grained models; needs an option for atomic representation
  • fIR.py : idem (plus, its name has been changed from fpib.py to fIR.py -> change the name in all scripts
    that import fpib)
  • add a script rmsd.py
  • energy-mapping script : replace by Charles' version
@chantalprevost chantalprevost added this to the Release 2.0.0 milestone Aug 8, 2017
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