moleculekit.config module

moleculekit.config.config(viewer=None, configfile=None, ncpus=1)

Function to change HTMD configuration variables.

Parameters:

• viewer (str) – Defines the backend viewer for molecular visualization

• ncpus (int) – Defines the number of cpus available for several HTMD operations

• configfile (str) – Defines the HTMD configuration file that is called at the beginning of importing

• lsf (str) – Defines a YAML file that can contain default profile configurations for an LsfQueue

• slurm (str) – Defines a YAML file that can contain default profile configurations for an SlurmQueue