hbonds: TypeError: Group type mismatch

[Tom Goddard]

open 1bna
split atoms solvent
hb #1

gives error

127 hydrogen bonds found
Traceback (most recent call last):

File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/cmd_line/tool.py", line 188, in execute

cmd.run(cmd_text)

File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/commands/cli.py", line 2557, in run

result = ci.function(session, kw_args)

File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/hbonds/cmd.py", line 186, in cmd_hbonds

for s, hbs in per_structure.items()]

File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/hbonds/cmd.py", line 186, in <listcomp>

for s, hbs in per_structure.items()]

File "/Users/goddard/ucsf/chimerax/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/chimerax/core/atomic/molobject.py", line 1881, in pseudobond_group

pbg = f(self._c_pointer, name.encode('utf-8'), create_arg)

TypeError: Group type mismatch

[Eric Pettersen]

"split" command wasn't preserving pseudobond group type

[goddard@…]

Oops!  Thanks for the fix.

[Eric Pettersen]

Well, I had to also add a little code to make it possible to use the (integer) group type in the constructor call, rather than the string equivalent, so it's probably good that I worked on it.

--Eric