OCDockerConsole

The interactive console aggregates common OCDocker imports in a single session and supports:

  • Tab-completion for names and attributes

  • Command history (stored in ~/.ocdocker_console_history)

Launch the console via CLI:

ocdocker console --conf OCDocker.cfg

Inside the console, useful helpers include:

>>> print_args()                 # environment overview
>>> print_args('all')            # all sections
>>> print_args('vina')           # also: smina, plants, gnina, oddt, db, paths
>>> debug_all()                  # enable global DEBUG level
>>> debug_modules('vina,smina')  # per-module debug prints

Reference

This script is used for fast import of all funcionalities in the OCDocker suite making easier to debug and possibly allowing a future OCDocker console to enable the user to perform the steps step by step.

OCDockerConsole.clean_test_files(baseProtPath, baseLigPath, baseDecPath, baseCanPath)[source]

Rests the test_files folder to its original state

Parameters:

  • baseProtPath (str) – Path to the base protein folder

  • baseLigPath (str) – Path to the base ligand folder

  • baseDecPath (str) – Path to the base decoy folder

  • baseCanPath (str) – Path to the base candidates folder

Return type:

None

OCDockerConsole.print_args(program='')[source]

Print environment variables and optionally program-specific settings.

Console usage examples:

  • print_args() # environment overview

  • print_args(‘paths’) # relevant paths and binaries

  • print_args(‘db’) # database connections

  • print_args(‘vina’) # Vina parameters

  • print_args(‘smina’) # Smina parameters

  • print_args(‘plants’) # PLANTS parameters

  • print_args(‘gnina’) # Gnina parameters (if configured)

  • print_args(‘oddt’) # ODDT parameters

  • print_args(‘all’) # print all sections

Parameters:

program (str) –

Return type:

None

OCDockerConsole.get_db_url()