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Scoring docking error

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Scoring docking error
#1

Hello,

I want to do a simple scoring of some docking solutions. My flags are:

-in:file:l list.txt
-score:weights docking
-out:file:scorefile scoring/score_docking.sc

... but I get this error:

[ ERROR ]: Caught exception:


File: src/core/scoring/ScoreFunction.cc:3461
[ ERROR ] UtilityExitException
.wts exist/Softwares/Rosetta/rosetta_src_2020.08.61146_bundle/main/database/scoring/weights/dockingking

Is that a bug? There is no 'dockingking' in main/database/scoring/weights/.

Thanks in advance.

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Wed, 2020-09-02 01:32
almeida85

It looks like you may have a non-printing control character in your options file.  (This causes Rosetta not to recognie the filename, and the output to be garbled when it is printed to the tracer output.)

The first thing I'd try is running the options file through the dos2unix program. That should fix up typical issues you get from converting from Windows to Linux line endings.

If that doesn't work, try re-typing (*without* copy/paste) the options file in a new file with a Unix-based text editor (not a word processor).

Wed, 2020-09-02 06:06
rmoretti

Thanks!

I retyped everything manually in the command line, and it worked.

Best

Wed, 2020-09-02 06:14
almeida85