Check docking log files and rerun failed docking jobs

Usage

check_logs(
  logs_dir = "logs",
  output_dir = "docked",
  config_paths = NULL,
  vina_path = NULL,
  seed = 12345,
  cpu = NULL,
  force = FALSE
)

Arguments

logs_dir: Character, directory containing log files, default "logs"
output_dir: Character, output directory for docked files, default "docked"
config_paths: Character vector of paths to config files or directories containing config files
vina_path: Character, path to vina executable, default "vina"
seed: Integer, random seed for reproducibility, default 12345
cpu: Integer, number of CPU cores to use for parallel computation, default NULL (auto-detect)
force: Logical, whether to force rerun all jobs regardless of log status, default FALSE

Value

Character vector of rerun log files

Examples

if (FALSE) { # \dontrun{
# Check log files and rerun any failed docking jobs
check_logs(
  logs_dir = "logs",
  output_dir = "docked",
  config_paths = "configs"
)
} # }