Module run_propka

PROPKA wrapper functions

Functions

[hide private]

run_propka(files, **kwargs)
Runs the propka job.

Variables

[hide private]

PROPKA_SCRIPT = 'propka_run_wrapper.py'

__package__ = 'schrodinger.application.bioluminate'

Function Details

[hide private]

run_propka(files, **kwargs)


Runs the propka job.

All kwargs will be added to the command line arguments. They must
be taken from the help arguments. The prepended dash is automatically
added to the key. For example, this
   propka.run(files, pH=6.8) 

will run propka with "-pH 6.8" added to the command line.

@param files: The pdb files to operate on
@type  files: The filename (as string) or list/tuple of filenames (strings)