Hello Changdong-- > > Dear Charles and xplor-nih users, > > I'm using xplor-nih-v2.39 to calculate protein-dna structures based on > PRE and NOE data . There are something wrong with my "newRefine.py" > script. Followed is the ERROR report. > > addClockAtoms: using existing atoms in segid: "" resid: 777 > Traceback (most recent call last): > File "<string>", line 2, in <module> > File "/data1/program/xplor-nih-2.39/python/trace.py", line 180, in run > exec cmd in dict, dict > File "<string>", line 1, in <module> > File "newRefine.py", line 88, in <module> > addClockAtoms(resid) > File "/data1/program/xplor-nih-2.39/python/prePotTools.py", line 313, in > addClockAtoms > oAtom = AtomSel(resSel + " and name "+oname )[0] > File "/data1/program/xplor-nih-2.39/python/wrappers/atomSel.py", line > 97, in __getitem__ > def __getitem__(self, *args, **kwargs): return > _atomSel.AtomSel___getitem__(self, *args, **kwargs) > IndexError: PyConvert error: range error > > I've added the resid TAU (777-782) in my pdb file and attached is the > newRefine.py script. >
Your clock atoms probably have different naming than what is expected. I suggest you delete your clock atoms and try again. best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
