[GSAS-II] RB torsion sequence problem: 'rbId' is not defined

Arianna Lanza Arianna.Lanza at iit.it
Thu Feb 21 13:54:38 CST 2019


Dear all,

I have recently installed the latest version of GSAS-II (I had a quite old one so thank you for the new features!).

I'm having troubles to define torsion angles in my rigid body "residue". I have the same error if I try on an old project, where I had successfully defined torsion sequences. I may have forgotten the procedure, but I cannot find it in the tutorials or old mails so please I need your help.
Below you see the error I get in the "black window".


GSAS-II binary directory: C:\Users\alanza\AppData\Local\Continuum\g2conda\GSASII\bindist
8 values read from config file C:\Users\alanza\AppData\Local\Continuum\g2conda\GSASII\config.pyc
Python module versions loaded:
  Python:     2.7.12
  wx:         3.0.0.0
  matplotlib: 1.5.3
  numpy:      1.11.2
  scipy:      0.18.1
  OpenGL:     3.1.1a1
  PIL.Image:  3.4.2
  Platform:   win32 64bit AMD64
This is GSAS-II revision 3826
loading from file: E:\+VARIE\xxxx\xxxx\PXRD\UK\xxxx_UK_RB.gpx
GPX load successful. Last saved with GSAS-II revision 3825
Traceback (most recent call last):
  File "C:\Users\alanza\AppData\Local\Continuum\g2conda\GSASII\GSASIIconstrGUI.py", line 1762, in OnDefineTorsSeq
    rbData = data['Residue'][rbId]
NameError: global name 'rbId' is not defined

If anyone has experience with this I would appreciate any insight...

Thank you all in advance,

Arianna

PS: if you reply to all you help future users to not ask the same questions again and again...



,_,.-'´¨´'-.,_,.-'´¨´'-.,_,.-'´¨´'-.,_,,.-'´¨´'-.,_,.-'´¨´'-.,_,

Arianna Lanza, PhD

Center for Nanotechnology Innovation at NEST
Istituto Italiano di Tecnologia
Piazza San Silvestro, 12, 56127, PISA, Italy
+39 050 509732


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