vsw Command Help

Command: $SCHRODINGER/vsw

VSW: Virtual Screening Workflow

Usage: $SCHRODINGER/pipeline [options] <jobname>.inp

Options:
  -prog PROG            For programatic use
  -NJOBS NJOBS, -njobs NJOBS
                        Number of Glide subjobs to generate NOTE: If -NJOBS is
                        not specified, the number of subjobs will be set to
                        the number of processors.
  -adjust               Adjust the number of subjobs so that the estimated job
                        length is between 1 hour and 10 hours
  -noforce              Halt the workflow if any Glide subjob fails. By
                        default failed subjobs are skipped.
  -cleanup              Remove intermediate files (default)
  -no_cleanup           Do not remove intermediate files
  -max_retries MAX_RETRIES
  -OVERWRITE            Overwrite files from previous job
  -RESTART              Attempt to restart the previous job
  -RESTARTBEG           Attempt to restart the previous job; start failed
                        stages from beginning
  -REMOTEDRIVER         Run driver job on first host in -HOST entry.
  -DRIVERHOST DRIVERHOST
                        Run driver job on special <host>.
  -h, -help             Print this message and exit
  -v, -version          Display the version number and exit
  -keywords             Print available keywords for each stage
  -host GENERAL         
  -host_glide GLIDE     
  -host_ligprep LIGPREP
  -host_prime PRIME     
  -host_mmod MACROMODEL
  -host_qikprop QIKPROP

  Job Control Options:
    -HOST <hostname>    Run job remotely on the indicated host entry.
    -WAIT               Do not return a prompt until the job completes.
    -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.