Glide Utilities

Glide has some command-line utilities (stored in the utilities subdirectory of the installation) and scripts (stored with the Glide software in the installation):

`glide_sort`	This utility re-ranks Glide poses by custom criteria or combines job outputs into one file. The “best” pose is defined by the property used for sorting.
`glide_merge`	This utility merges results from a list of presorted pose files (such as from `glide` subjobs) into a single pose file, sorted by the docking score or a specified property.
`glide_blocksort.py`	This script block-sorts Glide results.The results for each ligand are grouped and sorted by Emodel (HTVS/SP) or the XP pose rank, and then the ligand blocks are sorted according to the GlideScore of the top member.
`glide_ensemble_merge`	This utility merges results from multiple docking runs with different receptors, adding an optional offset for each receptor.
`grid_gen_from_pv.py`	This script generates a Glide grid from a poseviewer file.
`mcs_docking_workflow.py`	This script runs a Glide docking job in which the ligands are docked if they match the maximum common substructure of one of a set of reference ligands.
`pose_entropy.py`	This script computes a modified docking score that includes entropic effects, using the number of poses within each energy well. Poses are first clustered and then the entropy is computed for each cluster.
`pose_filter.py`	This script evaluates poses to see if they satisfy specified interactions with the receptor.
`pose_rank_and_rmsd_analysis.py`	This script compares ranks of compounds in structure files that are ordered in ascending rank (best first).
`split_macrocycles.py`	This script splits a structure file into macrocycles and non-macrocycles so that they can be docked separately.

Run the utility or script with the -h option for information on usage (or click the script name in the above list, which links to the same information). For information on running utilities and scripts, see Running Schrödinger Applications from the Command Line. The command required to run the scripts is included in the usage message.