示例#1
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 def setDefaults(self):
     """
     """
     self.colors = appDefaults.defaultForParameter("colors")
     self.UnSatisfactionMarker.set(appDefaults.defaultForParameter("UnSatisfactionMarker"))
     self.SatisfactionMarker.set(appDefaults.defaultForParameter("SatisfactionMarker"))
     self.radius.set(appDefaults.defaultForParameter("radius"))
示例#2
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 def setDefaults(self):
     """
     """
     self.densityPanel.gradient.set(appDefaults.defaultForParameter("gradient"))
     self.selectedMethod.set(appDefaults.defaultForParameter("method"))
     self.url.set(appDefaults.defaultForParameter("urlPDB"))
     self.rangeCutOff.set(appDefaults.defaultForParameter("rangeCutOff"))
     self.densityPanel.gradientSelection['values'] = appDefaults.defaultForParameter('gradientColorList')
     self.sticksPanel.setDefaults()
示例#3
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def showNOEDensity(structure='', managerName="", residuesList='all',
                   dist_range='all', violationState='all',
                   violCutoff=appDefaults.defaultForParameter("cutOff"),
                   rangeCutOff=appDefaults.defaultForParameter("rangeCutOff"),
                   method=appDefaults.defaultForParameter('method'),
                   colors=appDefaults.defaultForParameter("gradient")):
    """
    """
    PyNMRCLI.showNOEDensity(structure, managerName, residuesList,
                            dist_range, violationState, violCutoff, rangeCutOff,
                            method, colors)
示例#4
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def showNOE(structure='', managerName="", residuesList='all',
            dist_range='all', violationState='all',
            violCutoff=appDefaults.defaultForParameter("cutOff"),
            method=appDefaults.defaultForParameter('method'),
            radius=appDefaults.defaultForParameter("radius"),
            colors=appDefaults.defaultForParameter("colors"),
            rangeCutOff=appDefaults.defaultForParameter("rangeCutOff"),
            UnSatisfactionMarker=appDefaults.defaultForParameter("UnSatisfactionMarker"),
            SatisfactionMarker=appDefaults.defaultForParameter("SatisfactionMarker")):
    """
    """
    PyNMRCLI.showNOE(structure, managerName, residuesList, dist_range,
                     violationState, violCutoff, method, radius, colors,
                     rangeCutOff, UnSatisfactionMarker, SatisfactionMarker)
示例#5
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def loadAndShow(filename, structure='', residuesList='all', dist_range='all',
                violationState='all',
                violCutoff=appDefaults.defaultForParameter("cutOff"),
                method=appDefaults.defaultForParameter('method'),
                rangeCutOff=appDefaults.defaultForParameter("rangeCutOff"),
                radius=appDefaults.defaultForParameter("radius"),
                colors=appDefaults.defaultForParameter("colors"),
                UnSatisfactionMarker=appDefaults.defaultForParameter("UnSatisfactionMarker"),
                SatisfactionMarker=appDefaults.defaultForParameter("SatisfactionMarker")):
    """
    """
    PyNMRCLI.loadAndShow(filename, structure, residuesList, dist_range,
                         violationState, violCutoff, method, rangeCutOff,
                         radius, colors, UnSatisfactionMarker,
                         SatisfactionMarker)
示例#6
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 def setDefaults(self):
     self.violationsFrame.cutOff.set(defaultForParameter("cutOff"))
     self.structureManagement.comboPDB.values = MVI.getModelsNames(defaultForParameter('SatisfactionMarker'), defaultForParameter('UnSatisfactionMarker'))
示例#7
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def downloadNMR(pdbCode, url=appDefaults.defaultForParameter("urlPDB")):
    """
    """
    PyNMRCLI.downloadNMR(pdbCode, url)