rstoolbox.io.
make_structures
(df, outdir=None, tagsfilename='tags', prefix=None, keep_tagfile=True)¶Extract the selected decoys (if any).
Note
Depends on rosetta.path and rosetta.compilation. Depends on system.overwrite and system.output.
Attention
This function REQUIRES a local installation of Rosetta.
It basicall runs the extract_pdbs
Rosetta application over the selected decoys.
extract_pdbs.linuxgccrelease -in:file:silent <pdb> -tags <selected>
It requires the DesignFrame
to have source_file
attached identifying the
silent files from which the data can be extracted. minisilent files will not work here.
This should happen by default with the library, if one reads from actual silent files,
but can be set up with:
# (1) Read from a minisilent file that does not contain structural data: substitute
``df.replace_source_files(["file1", "file2", ])``
# (2) Add files to a recently casted DesignFrame
``df.add_source_files(["file1", "file2", ])``
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