grid_gen_from_pv.py Command Help

Command: $SCHRODINGER/run grid_gen_from_pv.py

Usage: grid_gen_from_pv.py [options]

 Generates a Glide grid from a poseviewer file. The ligand in the poseviewer
file is used to determine the center of the Glide grid box.  The script reads
the receptor structure block (CT) from a pose-viewer file, and uses the
structure and various properties to reconstruct input for a Glide gridgen job.
The relevant properties are the CT-level "r_glide_gridbox_*" and if the
original gridgen job specified rotatable receptor groups (fka "flexible
hydroxyls"), the atom-level "b_glide_flexr_movable" to indicate which atoms
are considered movable. It also takes into account the per atom van der waals
radius and charge scaling settings in the input file, if present in the
original gridgen job.  The script *cannot* faithfully reconstruct gridgen jobs
that specify Glide constraints or excluded volumes, because the PV file does
not contain any information about those Glide features.  Copyright
Schrodinger, LLC. All rights reserved.

Options:
  -v, -version          Show the program's version and exit.
  -h, -help             Show this help message and exit.
  -o OUT_BASE, -outbase OUT_BASE
                        Base name for gridgen input to be produced.
  -a, -allprint         Report all levels of status message.