Available direct executables

minisilent.py

Transform fully-fledged silent file(s) into portable minisilent by storing only the content that can be processed by the rstoolbox.

It is very convenient to store mid-step data in git repositories.

usage: minisilent.py [-h] [-in:file IFILE] [-in:files IFILES [IFILES ...]]
                     [-out:file OFILE] [-overwrite]

Named Arguments

-in:file Input silent file (single entry).
-in:files Prefix of input silent files (multiple files).Incompatible with -in:file.
-out:file Output name for minisilent (can be gzipped).
-overwrite Allows overwriting existing file.

rename_decoys.py

Renames decoys with a new prefix identifier and the same numbering schema that Rosetta uses.

usage: rename_decoys.py [-h] [-in:file IFILE] [-prefix PREFIX]
                        [-out:file OFILE] [-overwrite]

Named Arguments

-in:file Input silent file.
-prefix Prefix for the new naming schema.
-out:file Output silent file.
-overwrite Allow overwrite if output file exists.

regplot_rosetta.py

Plot any two variables from the Rosetta Silent/Score file.

usage: regplot_rosetta.py [-h] [-in:file IFILE] [-in:files IFILES] [-in:y Y]
                          [-in:x X] [-plot:title TITLE] [-plot:color COLOR]
                          [-plot:ylab YLAB] [-plot:xlab XLAB]
                          [-plot:ylim YLIM YLIM] [-plot:xlim XLIM XLIM]
                          [-plot:fsize FSIZE FSIZE] [-out:silent]
                          [-out:file OFILE]

Named Arguments

-in:file Input silent file (single file)
-in:files Prefix of input silent files (multiple files). Incompatible with -in:file.
-in:y Name of the score for Y axis.
-in:x Name of the score for X axis.
-plot:title Title of the plot.
-plot:color

Color of the plot. If number, it refers to the seaborn color palette.

Default: 0

-plot:ylab Label for Y axis.
-plot:xlab Label for X axis.
-plot:ylim

Range for Y axis.

Default: [None, None]

-plot:xlim

Range for X axis.

Default: [None, None]

-plot:fsize

Size of the figure.

Default: [None, None]

-out:silent If True, do not plot on screen.
-out:file Output image file. If None, no file is created.

plot_fragments_rmsd.py

Generate a plot for fragment RMSD evaluation. Requires the output from the r_fraq_qual application in Rosetta.

Note

Depends on rosetta.path and rosetta.compilation, if the quality file is not provided.

usage: plot_fragments_rmsd.py [-h] [-in:frag:small FSMALL]
                              [-in:qual:small QSMALL] [-in:frag:large FLARGE]
                              [-in:qual:large QLARGE] [-in:pdb PDB]
                              [-out:silent] [-out:format FORMAT]
                              [-out:file OFILE]

Named Arguments

-in:frag:small Name of the small fragments file.
-in:qual:small Name of the small fragments quality file.
-in:frag:large Name of the large fragments file.
-in:qual:large Name of the large fragments quality file.
-in:pdb PDB file. If quality files are not provided, this input is needed so that r_fraq_qual can be executed.
-out:silent If True, do not plot on screen.
-out:format

Make plot vertical (v) or horizontal (h).

Default: “h”

-out:file Output image file (.png/.svg). If None, no image is created.

check_mutants.py

Check the sequences in the silent files. Creates logo plot and multiple sequence alignment both in text and image format.

usage: check_mutants.py [-h] [-in:file IFILE] [-in:files IFILES]
                        [-in:fasta IFASTA] [-in:wtfasta FFILE]
                        [-in:seqID SEQID] [-out:prefix OFILE]
                        [-out:format {png,svg}] [-out:font IFONT]

Named Arguments

-in:file Input silent file (single file).
-in:files Prefix of input silent files (multiple files).Incompatible with -in:file.
-in:fasta Input designs in fasta format.Incompatible with -in:file or -in:files.
-in:wtfasta Rerefence sequence (single FASTA).
-in:seqID

Sequence chain identifier.

Default: “A”

-out:prefix Prefix for the outputs.
-out:format

Possible choices: png, svg

Ouptut images format (png/svg).

Default: “png”

-out:font

Font size for logo plot (might need manual adjustment).

Default: 35