[Chimera-users] Ringer/Chimera/IDLE

[Greg Couch]

(This question is a developer question and not a user question, but 
since it was asked on chimera-users, the response is there as well. 
Followups should go to chimera-dev at cgl.ucsf.edu.)

The "ValueError: missing default material" means that the script was not 
run by chimera, which we don't support.  We also don't support using an 
IDLE other than the one you get by running chimera and using Tools / 
General Tools / IDLE.

We only support using chimera's Python code in scripts that are invoked 
by chimera.  That is why the ringer shell script is:

     "$CHIMERA_HOME"/bin/chimera --nogui --silent --script 
"$RINGER"/ringer/main.py -- "$@"

In the same vein, if you replaced "$RINGER"/ringer/main.py with the 
following 2 line script:

     import chimera
     print chimera.MaterialColor(1, 1, 1)

Everything works.

Long ago, we considered what it would take to get chimera's Python code 
working in a different application.  In that scenario, you would need to:

     1. Set the CHIMERA environment variable to the root of the Chimera 
installation
     2. Set other environment variables that are set in 
CHIMERA/bin/chimera for your platform
     3. Add $CHIMERA/share to your Python's sys.path
     4. import chimeraInit; chimeraInit.init([], nogui=True, 
eventloop=False, exitonquit=False)

But since chimera uses a modified Python, that is insufficient.  For 
example, chimera changes
Python's default string to unicode conversion to use utf-8 instead of 
ASCII.  We've also backported some of Python 3's unicode support that 
chimera depends on.  If you are lucky, your use of chimera's Python code 
will not be affected by those changes.

     HTH,

     Greg

P.S.  Your immediate problem might be fixed by calling 
chimera.initializeColors(), but that is a hack that is not guaranteed to 
keep working.

On 01/16/2015 12:20 PM, Alejandro Virrueta wrote:
> Hello,
>
> I am modifying some Ringer files for my own needs, but I am running 
> into a weird issue. If I run Ringer via typical means:
>
> $RINGER/ringer/ringer -i ringer_in_${pdb_ID}.txt -o 
> ringer_out_${pdb_ID}.txt
>
> it works fine. However, when I step through it in what I think is my 
> version of IDLE ("$CHIMERA_HOME/bin/chimera --nogui --nostatus 
> --script `which idle2.7`
> /usr/bin/idle2.7", with `which idle2.7` returning "/usr/bin/idle2.7"), 
> I run into this error:
>
> Traceback (most recent call last):
>   File "/Users/av376/ringer-2.0/ringer/main_copy.py", line 233, in 
> <module>
>     main()
>   File "/Users/av376/ringer-2.0/ringer/main_copy.py", line 161, in main
>     move_set, pdb = structureFile(parameters, path)
>   File "/Users/av376/ringer-2.0/ringer/main_copy.py", line 65, in 
> structureFile
>     pdb = chimera.openModels.open(parameters.pdbfileName)
>   File 
> "/Applications/Chimera.app/Contents/Resources/share/chimera/__init__.py", 
> line 1817, in open
>     checkForChanges=False, noprefs=noprefs)
>   File 
> "/Applications/Chimera.app/Contents/Resources/share/chimera/__init__.py", 
> line 1644, in add
>     makePseudoBondsToMetals(realMolecules)
>   File 
> "/Applications/Chimera.app/Contents/Resources/share/chimera/__init__.py", 
> line 1961, in makePseudoBondsToMetals
>     cmPBG = mol.metalComplexGroup(issueHint=True)
>   File 
> "/Applications/Chimera.app/Contents/Resources/share/chimera/__init__.py", 
> line 119, in _getMetalPbg
>     am.color = preferences.get(MOLECULE_DEFAULT, MOL_COMPLEX_COLOR)
>   File 
> "/Applications/Chimera.app/Contents/Resources/share/chimera/preferences/base.py", 
> line 608, in get
>     forPrefSave=forPrefSave)
>   File 
> "/Applications/Chimera.app/Contents/Resources/share/chimera/preferences/base.py", 
> line 179, in get
>     return self._options[name].get(forPrefSave=forPrefSave)
>   File 
> "/Applications/Chimera.app/Contents/Resources/share/chimera/preferences/base.py", 
> line 80, in get
>     return self.prefToVal(self.value)
>   File 
> "/Applications/Chimera.app/Contents/Resources/share/chimera/tkoptions.py", 
> line 1229, in _prefToColor
>     return getColorByName(pref)
>   File 
> "/Applications/Chimera.app/Contents/Resources/share/chimera/colorTable.py", 
> line 87, in getColorByName
>     color = chimera.MaterialColor(r/255.0, g/255.0, b/255.0)
> ValueError: missing default material
>
> Any suggestions?
>
> Cheers,
> Alex
>
>
> _______________________________________________
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> Chimera-users at cgl.ucsf.edu
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