[Xplor-nih] Analysis the result of ensemble calculation

[yun lin]

Dear Charles and xplor-nih users,
    I try to analyze the result of ensemble calculation using the
scripts 'analyze.py' in eginput/gb1_rdc/. Because an ensemble contains
several structures, I used the 'MEMBER' term to generate the inputfile
name:
inFilename = "ensemble_4_STRUCTURE_MEMBER.sa"

And I added the following statements:
from ensembleSimulation import EnsembleSimulation
esim = EnsembleSimulation("ensemble",ensembleSize)

    While running the scripts, I got an error:
......
analyze_esim.py(81): potList.append( AvePot(XplorPot('RAMA')) )
Traceback (most recent call last):
  File "<string>", line 2, in <module>
  File "/public/xplor-nih-2.21/python/trace.py", line 180, in run
    exec cmd in dict, dict
  File "<string>", line 1, in <module>
  File "analyze_esim.py", line 81, in <module>
    potList.append( AvePot(XplorPot('RAMA')) )
  File "/public/xplor-nih-2.21/python/wrappers/xplorPot.py", line 154,
in construct
    oldConstructor(self,*args)
  File "/public/xplor-nih-2.21/python/wrappers/xplorPot.py", line 114,
in __init__
    self.__oldinit__(*args)
  File "/public/xplor-nih-2.21/python/wrappers/xplorPot.py", line 99,
in __init__
    _swig_setattr(self, XplorPot, 'this', _xplorPot.new_XplorPot(*args))
  File "<string>", line 2, in new_XplorPot
SystemError: xplor-nih error: XplorPot::XplorPot: requires an XplorSimulation.
PyInterp::command: error executing: >execfile('analyze_esim.py')<

    If I comment out the statements of esim, the script runs
correctly, but the 'MEMBER' term does not work and only the first
structure in each ensemble is analyzed.
    How to enable 'MEMBER' term during analysis?

Thanks!
Yun Lin