rstoolbox.io.
parse_master_file
(filename, max_rmsd=None, piece_count=18, shift_0=False)¶Load data obtained from a MASTER search.
Parameters: | |
---|---|
Returns: |
Columns of the returned DataFrame
are:
column name | description |
---|---|
rmsd | RMSD value between query and match |
pds_path | Path to the PDS file containing the match |
pdb | PDB identifier (conditional) |
chain | Chain identifier (conditional) |
match | List of ranges for the match (Rosetta count) |
The generation of the pdb
and chain
columns assumes that the PDS files
basename has the standard nomenclature <pdbid>_<chain>.pds
. If that is not
the case, these columns will not be processed.