[GSAS-II] Unable to load Rigid body model (Import XYZ files) for Simulated Annealing
Angshuman Gupta
angshumanmet at gmail.com
Sun Sep 9 11:49:37 CDT 2018
Thanks to the GSAS II development team for quick responses and suggestions,
I was able to fix the bug of importing rigid body file within a few hours.
On Sun, Sep 9, 2018 at 12:50 AM Toby, Brian H. <toby at anl.gov> wrote:
> Bob has now repaired Angshuman’s bug (which had to do
> with incompatibilities between different wxPython versions) and as far as
> we are aware, rigid bodies are working fine. If not, please give us enough
> details so we can track down any other bugs.
>
> Brian
>
> On Sep 8, 2018, at 5:34 AM, Falenty, Andrzej <afalent at gwdg.de> wrote:
>
> Hi Angshuman, I looks like the old issue I have been reporting long time
> ago. The RB was not really working in GSASII so I dropped the whole thing
> and tried to use FOX instead. At the end I moved to Reitan for this kind of
> exercises.
>
> Good Luck
>
> Andrzej
> ------------------------------
> *Von:* gsas-ii-bounces at aps.anl.gov <gsas-ii-bounces at aps.anl.gov> im
> Auftrag von Angshuman Gupta <angshumanmet at gmail.com>
> *Gesendet:* Freitag, 7. September 2018 08:42:33
> *An:* gsas-ii at aps.anl.gov
> *Betreff:* [GSAS-II] Unable to load Rigid body model (Import XYZ files)
> for Simulated Annealing
>
> Dear Sir,
> I am Angshuman Gupta, using GSAS II for my research works. I was trying to
> do simulated annealing using GSAS II as given in example "
> https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/MCsimanneal/MCSA%20in%20GSAS.htm".
> I was unable to import XYZ atoms coordinate rigid body file requires for
> performing MC/SA. When I check the log file generated in terminal I got
> "Traceback (most recent call last):
> File "/home/laptop/GSASII/GSASIIconstrGUI.py", line 1510, in
> OnImportRigidBody
> ImportResidueRB()
> File "/home/laptop/GSASII/GSASIIconstrGUI.py", line 1579, in
> ImportResidueRB
> text,ext = getTextFile()
> File "/home/laptop/GSASII/GSASIIconstrGUI.py", line 1490, in getTextFile
> wx.FD_OPEN | wx.CHANGE_DIR)
> AttributeError: 'module' object has no attribute 'CHANGE_DIR' "
>
> I will be thankful to you if you kindly suggest me whats wrong with it and
> how to overcome this error.
> I am running GSAS on LInux Mint version 18.3 and Anaconda python 2.7.15
>
>
> Thank you
>
> Yours sincerely
> Angshuman Gupta
> PhD Indian Institute of Technology Bombay
>
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>
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