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Improve handling of restraints in the summary table #62

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aozalevsky opened this issue Oct 30, 2022 · 0 comments
Open

Improve handling of restraints in the summary table #62

aozalevsky opened this issue Oct 30, 2022 · 0 comments
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@aozalevsky
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Function get_restraints_info has to be refactored to:

  1. avoid nonoptimal formatting:

    elif isinstance(i, ihm.restraint.PredictedContactRestraint):
    restraints_comp['Restraint info'].append('Distance: '+str(i.distance.distance)
    + ' between residues ' +
    str(i.resatom1.seq_id)
    + ' and ' + str(i.resatom2.seq_id))

  2. update if-tree to support current him specs, for instance, ihm.restraint.PredictedContactRestraint can have multiple types ('lower bound', 'upper bound', 'lower upper bound').

@aozalevsky aozalevsky self-assigned this Oct 30, 2022
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