glide Command Help
Command: $SCHRODINGER/glide
usage: glide_startup.py [options] <input_file>
positional arguments:
input_file
options:
-v, -version Show the program's version and exit.
-h, -help Show this help message and exit.
-k, -keywords Print full list of available keywords.
-docking-keywords Print list of keywords available for docking jobs.
-gridgen-keywords Print list of keywords available for gridgen jobs.
-allow_missing_inputs
Launch the job even if some of the input files are
missing (the job will fail unless the file is already
available on the remote host).
-adjust Determine subjob size automatically.
-OVERWRITE Remove previous job files before running.
-safe_restart Restart failed subjobs from scratch instead of trying
to resume them where they left off. (Only applies to
distributed jobs.)
-new Run new Glide backend
-sublocal, -SUBLOCAL Run subjobs with -LOCAL.
-strict Terminate upon first subjob failure.
-noforce Don't merge output poses if any subjobs fail.
-no_cleanup Don't remove temporary and subjob files.
-aggressive_cleanup Remove temporary and subjob files when the subjob is
done.
-max_retries MAX_RETRIES
Number of times to re-submit subjobs upon failure.
-nosmartdist Disable smart job distribution.
-nosplit Do not split the input ligands file; instead all
subjobs will reference the same file but use different
sections of it.
-mq Launch docking jobs with ZMQ.Use this flag with -NJOBS
to set the number of workers.
Job Control Options:
-HOST <hostname> Run job remotely on the indicated host entry.
-WAIT Do not return a prompt until the job completes.
-LOCAL Do not use a temporary directory for job files. Keep
files in the current directory.
-NOLOCAL Use a temporary directory for job files.
-D, -DEBUG Show details of Job Control operation.
-SAVE Return zip archive of job directory at job completion.
-NOJOBID Run the job directly, without Job Control layer.
-JOBNAME JOBNAME Provide an explicit name for the job.
Standard Options:
-NJOBS NJOBS Divide the overall job into NJOBS subjobs.
-NSTRUCTS NSTRUCTS Divide the overall job into subjobs with no more than
NSTRUCTS structures.
-DRIVERHOST <hostname>
Run the driver on the specified host. The subjobs are
run on the hosts specified with -HOST.
-RESTART Restart a previously failed job, utilizing any already
completed subjobs.