Dear fellow PyMOL users,

I'm trying to run open source PyMOL v2.4.0 on a Linux computer with no X11 available (as part of a script on a HPC cluster). I noticed that plug-ins are not loaded automatically, therefore I force the required plug-in (pmlbeta) to load as follows:

pymol -cpihq <<EOF

import pymol.plugins

pymol.plugins.plugin_load('pmlbeta')  # or "apbs_tools" or "lightingsettings_gui"

EOF

However, an exception is thrown by PyMOL:

Exception in thread Thread-2:
Traceback (most recent call last):
  File "/opt/miniconda3/envs/gmxbatch/lib/python3.9/threading.py", line 954, in _bootstrap_inner
    self.run()
  File "/opt/miniconda3/envs/gmxbatch/lib/python3.9/threading.py", line 892, in run
    self._target(*self._args, **self._kwargs)
  File "/opt/miniconda3/envs/gmxbatch/lib/python3.9/site-packages/pymol/plugins/legacysupport.py", line 134, in starttk
    app.root = Tkinter.Tk()
  File "/opt/miniconda3/envs/gmxbatch/lib/python3.9/tkinter/__init__.py", line 2270, in __init__     self.tk = _tkinter.create(screenName, baseName, className, interactive, wantobjects, useTk, sync, use)
_tkinter.TclError: no display name and no $DISPLAY environment variable

I have ascertained that the exception occurs even before the __init__.py module of my plugin starts running.

In principle, my plug-in does not strictly need graphics, I would like to use only the custom commands supplied by my plug-in (e.g. with cmd.extend()).

Is this possible? Or do I do something wrong (e.g. the forced loading of the plug-in)?

Kind regards,

Andras Wacha

--
András Ferenc Wacha, PhD
research fellow, CREDO instrument responsible

Biological Nanochemistry Research Group (310)

Institute of Materials and Environmental Chemistry
Research Centre for Natural Sciences (RCNS)
Magyar tudósok körútja 2.
H-1117 Budapest, Hungary
Phone: +36-1-382-6427
Web: http://bionano.ttk.hu
CREDO SAXS instrument: http://credo.ttk.hu


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