Error with saving mol2 file

[Elizabeth.Gazaway@…]

Hello,

When running save format mol2 command, I got the error message:

Traceback (most recent call last):
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/cmd_line/tool.py", line 319, in execute
    cmd.run(cmd_text)
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/commands/cli.py", line 2897, in run
    result = ci.function(session, **kw_args)
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/save_command/cmd.py", line 75, in cmd_save
    Command(session, registry=registry).run(provider_cmd_text, log=log)
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/commands/cli.py", line 2897, in run
    result = ci.function(session, **kw_args)
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/save_command/cmd.py", line 90, in provider_save
    saver_info.save(session, path, **provider_kw)
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/mol2/__init__.py", line 27, in save
    write_mol2(session, path, status=session.logger.status, **kw)
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/mol2/io.py", line 269, in write_mol2
    atoms.sort(key=sort_key_func)
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/mol2/io.py", line 237, in <lambda>
    sort_key_func = lambda a: (a.structure.id,) + serial_sort(a)
NameError: name 'serial_sort' is not defined

NameError: name 'serial_sort' is not defined

[Eric Pettersen]

Hi Elizabeth,

Thanks for reporting this problem. It was a simple coding error and easily fixed. The fix will be in tomorrow's daily build. Look for a build dated August 9th or later.

--Eric

Eric Pettersen
UCSF Computer Graphics Lab