def _visualize(self, obj, **kwargs):
views = []
cls = type(obj)
# For now handle both types of SetOfTiltSeries together
if issubclass(cls, schrodingerScipion.objects.SchrodingerAtomStruct) or \
issubclass(cls, schrodingerScipion.objects.SchrodingerBindingSites) or \
issubclass(cls, schrodingerScipion.objects.SchrodingerPoses):
pwutils.runJob(None,
Plugin.getHome('maestro'),
obj.getFileName(),
env=Plugin.getEnviron())
return views
def _viewResults(self, e=None):
views = []
i = self.pose.get()
fnPose = None
for small in self.protocol.outputSmallMolecules:
if small.getObjId() == i:
fnPose = small.poseFile.get()
break
if fnPose:
i = int(fnPose.split('@')[0])
fnPv = self.protocol.outputPoses.getFileName()
fnPose = self.protocol._getTmpPath('posei.maegz')
pwutils.runJob(None, schrodinger_plugin.getHome('utilities/maesubset'),
"-n %d:%d %s -o %s" % (i, i, fnPv, fnPose))
fnStruct = self.protocol.inputGrid.get().structureFile.get()
fnBoth = self.protocol._getTmpPath('pv.maegz')
pwutils.runJob(None, schrodinger_plugin.getHome('utilities/structcat'),
"-imae %s -imae %s -o %s" % (fnPose,fnStruct,fnBoth))
pwutils.runJob(None, schrodinger_plugin.getHome('maestro'), fnBoth,
env=schrodinger_plugin.getEnviron())
return views
def __init__(self, inputFile, **kwargs):
pwviewer.CommandView.__init__(self,
"%s %s &" %
(Plugin.getHome('maestro'), inputFile),
env=Plugin.getEnviron(),
**kwargs)