moleculekit.config module

moleculekit.config.config(viewer='VMD', 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