protein_patch_calculation.py Command Help
Command: $SCHRODINGER/run -FROM psp protein_patch_calculation.py
usage:
$SCHRODINGER/run -FROM psp protein_patch_calculation.py <struct_file> [<options>]
positional arguments:
ctfile name of the structure input file.
options:
-h, --help show this help message and exit
-psHyd PSHYD, -patch_size_hyd PSHYD
minimum hydrophobic patch size
-psPos PSPOS, -patch_size_pos PSPOS
minimum positive patch size
-psNeg PSNEG, -patch_size_neg PSNEG
minimum negative patch size
-v show program's version number and exit
-jobname JOBNAME, -JOBNAME JOBNAME, -j JOBNAME
Set the base name of outputs
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.
-NOJOBID Run the job directly, without Job Control layer.
Standard Options:
-NOLAUNCH Set up subjob inputs, but don't run the jobs.