nanovis / DiffFit

DiffFit: Visually-Guided Differentiable Fitting of Molecule Structures to Cryo-EM Map
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Asterisk unpacking in numpy array indexing requires ChimeraX 1.7 which uses Python 3.11 #20

Open RodenLuo opened 6 months ago

RodenLuo commented 6 months ago

With ChimeraX 1.6.1, the following error shows up. The line causing the problem is probably already not in use. I need to check further to see if we can remove or change it to have DiffFit running on v1.6.

Traceback (most recent call last):
  File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\core\toolshed\info.py", line 560, in start_tool
    ti = api._api_caller.start_tool(api, session, self, tool_info)
  File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\core\toolshed\__init__.py", line 1328, in start_tool
    return cls._get_func(api, "start_tool")(session, bi, ti)
  File "C:\Users\jiad\AppData\Local\UCSF\ChimeraX\1.6\site-packages\chimerax\difffit\__init__.py", line 29, in start_tool
    from . import tool
  File "C:\Users\jiad\AppData\Local\UCSF\ChimeraX\1.6\site-packages\chimerax\difffit\tool.py", line 26, in <module>
    from .parse_log import look_at_record, look_at_cluster, look_at_MQS_idx, animate_MQS, animate_MQS_2
  File "C:\Users\jiad\AppData\Local\UCSF\ChimeraX\1.6\site-packages\chimerax\difffit\parse_log.py", line 202
    shift = e_sqd_log[*MQS, iter_idx][0:3]
                          ^
SyntaxError: invalid syntax

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\ui\gui.py", line 1656, in <lambda>
    run(ses, "ui tool show %s" % StringArg.unparse(tool_name)))
  File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\core\commands\run.py", line 38, in run
    results = command.run(text, log=log, return_json=return_json)
  File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\core\commands\cli.py", line 2897, in run
    result = ci.function(session, **kw_args)
  File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\ui\cmd.py", line 219, in ui_tool_show
    bi.start_tool(session, name)
  File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\core\toolshed\info.py", line 567, in start_tool
    raise ToolshedError(
chimerax.core.toolshed.ToolshedError: start_tool() failed for tool DiffFit in bundle DiffFitViewerTool:
invalid syntax (parse_log.py, line 202)

chimerax.core.toolshed.ToolshedError: start_tool() failed for tool DiffFit in bundle DiffFitViewerTool:
invalid syntax (parse_log.py, line 202)

File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\core\toolshed\info.py", line 567, in start_tool
raise ToolshedError(

See log for complete Python traceback.