Exemple #1
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 def associateToPDB(self):
     """read strutural data
     """
     if self.structure != '':
         MVI.setPDB(self.structure)
         return len(self.constraints) > 0
     return False
Exemple #2
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 def drC(self, selectedConstraints, radius, colors):
     """
     Draw an array of constraints according to the filter defined by user,
     using the drawConstraint function
     """
     for aConstraint in selectedConstraints:
         if aConstraint.satisfaction == "unSatisfied":
             color = colors[aConstraint.constraintValues["closeness"]]
         elif aConstraint.satisfaction == "Satisfied":
             color = colors["Satisfied"]
         MVI.drawConstraint(aConstraint.points, color, radius, self.IDConstraint(aConstraint))
Exemple #3
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 def paD(self, selectedConstraints, structure, color_gradient):
     """Uses b-factors to simulate constraint density on structure
     """
     densityList = self.constraintsDensity(selectedConstraints)
     bFactors = dict()
     for atom in densityList:
         bFactors[atom.resi_number] = bFactors.get(atom.resi_number, 0) + densityList[atom]
     MVI.zeroBFactors(structure)
     for residu, density in bFactors.iteritems():
         MVI.setBfactor(structure, residu, density)
     MVI.paintDensity(color_gradient, structure)
     return densityList.keys()