namdtools.core.core.NAMD¶
- class namdtools.core.core.NAMD(configuration_path=None, log_path=None, executable=None, wait=True)[source]¶
Controls NAMD with Python.
Methods:
- __init__(configuration_path=None, log_path=None, executable=None, wait=True)[source]¶
Initialize the NAMD runner.
- Parameters:
configuration_path (str) – (Optional) Path to NAMD configuration.
log_path (str) – (Optional) Path to log file.
executable (str or list) – (Optional) NAMD executable for command line. This will be built if not provided.
wait (bool) – Should we wait for the NAMD job to finish? Or should it run in the background? (Default: True)
- property configuration_path¶
Get the NAMD configuration path.
- Returns:
NAMD configuration path.
- Return type:
- property executable¶
Get the NAMD executable with options.
- property log_path¶
Logfile