[Chimera-users] Creating MultiScale surface from a script

[Cruz, Phil (NIH/NIAID) [C]]

Hello Chimera users,

I need to create a MultiScale surface from a Chimera python script when the model is of large structures such as virus particles.  On a Mac, the following lines work great:

import MultiScale
d = MultiScale.show_multiscale_model_dialog()
d.make_multimers_cb(molecules=None)

and produce the desired surface output.

Unfortunately, where I really need this to work is on a Linux server using the special version of Chimera that doesn't require a graphics head.  When I run the script there I get errors, presumably when the script tries to create the dialog:

Traceback (most recent call last):
  File "/opt/UCSF/Chimera64-1.10.1/share/chimeraInit.py", line 698, in init
    midas_text.doRunScript("runscript", script)
  File "/opt/UCSF/Chimera64-1.10.1/share/Midas/midas_text.py", line 2206, in doRunScript
    execfile(scriptPath, scriptGlobals)
  File "Chimera_Molecular.py", line 301, in <module>
    d = MultiScale.show_multiscale_model_dialog()
  File "/opt/UCSF/Chimera64-1.10.1/share/MultiScale/__init__.py", line 2296, in show_multiscale_model_dialog
    return dialogs.display(MultiScale_Model_Dialog.name)
  File "/opt/UCSF/Chimera64-1.10.1/share/chimera/dialogs.py", line 76, in display
    dialog = find(name, create=1)
  File "/opt/UCSF/Chimera64-1.10.1/share/chimera/dialogs.py", line 61, in find
    return d()
  File "/opt/UCSF/Chimera64-1.10.1/share/chimera/baseDialog.py", line 665, in __init__
    from tkgui import windowSystem
  File "/opt/UCSF/Chimera64-1.10.1/share/chimera/tkgui.py", line 73, in <module>
    import Togl
ImportError: No module named Togl

Is there a way to have the script create the multiscale surface without invoking the dialog (if that's what the issue is), or some other approach to get this to work in the required environment?

Thanks for any suggestions.

--
Phillip Cruz, Ph.D.
Contractor, Medical Science & Computing

Computational Structural Biologist
Computational Biology Section
Bioinformatics and Computational Biosciences Branch (BCBB)
OCICB/OSMO/OD/NIAID/NIH

31 Center Dr., Room 3B62
Bethesda, MD 20892-0485
Office:  301-451-1089
http://bioinformatics.niaid.nih.gov<http://bioinformatics.niaid.nih.gov/> (Within NIH)
http://exon.niaid.nih.gov<http://exon.niaid.nih.gov/> (Public)

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