residue_analysis_backend.py Command Help

Command: $SCHRODINGER/run residue_analysis_backend.py

usage: residue_analysis_backend.py [-h] [-calc_props CALC_PROPS] [-asl ASL]
                                   [-jobname] [-HOST <hostname>] [-WAIT]
                                   [-NOJOBID]
                                   infile

This script is used by residue_analysis_gui.py.

positional arguments:
  infile                Input structure file

options:
  -h, --help            show this help message and exit
  -calc_props CALC_PROPS
                        Properties to calculate (comma-separated). Valid
                        properties are: e_pot,e_internal,e_interaction,pka,sas
                        a_polar,sasa_nonpolar,sasa_total,hydropathy,rotatable
                        (by default all properties will be calculated)
  -asl ASL              ASL for the residues to analyze (by default all
                        residues will be analyzed)
  -jobname              The job name.

Job Control Options:
  -HOST <hostname>      Run job remotely on the indicated host entry.
  -WAIT                 Do not return a prompt until the job completes.
  -NOJOBID              Run the job directly, without Job Control layer.