Author Topic: Error when starting the QATK scriptor from builder  (Read 159 times)

0 Members and 1 Guest are viewing this topic.

Offline cfdee001

  • New ATK user
  • *
  • Posts: 6
  • Country: my
  • Reputation: 0
    • View Profile
Error when starting the QATK scriptor from builder
« on: October 29, 2020, 11:21 »
Dear

I have encountered the below error message when I wanted to start a scriptor.
I imported a *.mol file from ChemSpider (http://www.chemspider.com/) website.
The structure was displayed properly in the builder.
After that I tried to proceed to scriptor. (See attachment)
It showed me this error message.


Traceback (most recent call last):
  File "zipdir\NL\GUI\Menus\SendToMenu.py", line 233, in showWindow
  File "zipdir\NL\GUI\MainWindow\MainWindow.py", line 1088, in scripter
  File "zipdir\NL\GUI\Tools\ScriptGenerator\ScriptGenerator.py", line 383, in __init__
  File "zipdir\NL\GUI\Tools\ScriptGenerator\ScriptGenerator.py", line 94, in __init__
  File "zipdir\NL\GUI\Tools\ScriptGenerator\Templates\TemplateManager.py", line 84, in __init__
  File "zipdir\NL\GUI\Tools\ScriptGenerator\Templates\TemplateManager.py", line 223, in loadTemplates
  File "zipdir\NL\GUI\Tools\ScriptGenerator\Templates\TemplateManager.py", line 254, in loadTemplatesFromCache
  File "zipdir\NL\IO\NLSaveUtilities.py", line 249, in nlinspect
  File "zipdir\NL\IO\HDF5.py", line 976, in inspectHDF5
  File "zipdir\NL\IO\HDF5.py", line 235, in contents
  File "zipdir\NL\IO\HDF5.py", line 235, in <listcomp>
  File "h5py\_objects.pyx", line 54, in h5py._objects.with_phil.wrapper
  File "h5py\_objects.pyx", line 55, in h5py._objects.with_phil.wrapper
  File "build\lib\site-packages\h5py-2.7.1-py3.6-win-amd64.egg\h5py\_hl\group.py", line 167, in __getitem__
  File "h5py\_objects.pyx", line 54, in h5py._objects.with_phil.wrapper
  File "h5py\_objects.pyx", line 55, in h5py._objects.with_phil.wrapper
  File "h5py\h5o.pyx", line 190, in h5py.h5o.open
ValueError: No name (no name)


I had done this a few times without any problem previously.
Also I was sure this is not due to the file problem. because I tried to run the previously successfully runned file, it also had the same error message.

Hope someone can help me to solve this problem

TQVM
« Last Edit: October 29, 2020, 12:11 by cfdee001 »

Offline mlee

  • QuantumWise Staff
  • ATK Guru
  • *****
  • Posts: 103
  • Country: dk
  • Reputation: 0
    • View Profile
Re: Error when starting the QATK scriptor from builder
« Reply #1 on: October 29, 2020, 16:00 »
In the R-2020.09 version, it works without any problem.
Can you try to save as .py or .hdf5 and send it to scripter?


Offline cfdee001

  • New ATK user
  • *
  • Posts: 6
  • Country: my
  • Reputation: 0
    • View Profile
Re: Error when starting the QATK scriptor from builder
« Reply #2 on: October 29, 2020, 16:29 »
Dear Mlee,

Thank you very much for your reply.
I have tried it before, also cannot.
Even all my previous files that working properly last time also facing same problem already.


Offline mlee

  • QuantumWise Staff
  • ATK Guru
  • *****
  • Posts: 103
  • Country: dk
  • Reputation: 0
    • View Profile
Re: Error when starting the QATK scriptor from builder
« Reply #3 on: October 30, 2020, 12:22 »
Can you delete the Builder_stash.hdf5 in the project directory(you will delete all previous builder configuration, if you don't want it, you can create a new project and open the builder.) and try to import it again? Then let us know about it.

Offline cfdee001

  • New ATK user
  • *
  • Posts: 6
  • Country: my
  • Reputation: 0
    • View Profile
Re: Error when starting the QATK scriptor from builder
« Reply #4 on: October 31, 2020, 09:41 »
Dear MLee,

I have deleted all the "builder_stash.hdf5", still have the same problem.
Also, do I need to delete the "classic_mode_builder_stash.hdf5" as well?

Thank you

Offline mlee

  • QuantumWise Staff
  • ATK Guru
  • *****
  • Posts: 103
  • Country: dk
  • Reputation: 0
    • View Profile
Re: Error when starting the QATK scriptor from builder
« Reply #5 on: November 3, 2020, 08:19 »
It will be safe to create new project using the new directory. Then you can import and send to it. Can you try it?

Offline cfdee001

  • New ATK user
  • *
  • Posts: 6
  • Country: my
  • Reputation: 0
    • View Profile
Re: Error when starting the QATK scriptor from builder
« Reply #6 on: November 4, 2020, 02:18 »
Dear Mlee,

I have solved the error by reseting the

C:\Users\[username]\.vnl
C:\Users\[username]\.quantumwise

Thanks

Offline mlee

  • QuantumWise Staff
  • ATK Guru
  • *****
  • Posts: 103
  • Country: dk
  • Reputation: 0
    • View Profile
Re: Error when starting the QATK scriptor from builder
« Reply #7 on: November 4, 2020, 12:44 »
Good to hear about it.