Module glide

Classes

[hide private]

DockingStage
VSW stage for performing Glide docking

GridgenStage

MergeStage
Stage for merging up to 100 Glide output files with 'glide_ensemble_merge'.

GlideSortStage
Stage for sorting Glide _pv/lib.mae files.

Functions

[hide private]

_get_reader(filename, astext=False, ignore_errors=False)
Returns a MaestroTextReader instance if specified file is a Maestro file; returns a StructureReader instance otherwise.

compress(origFile)
Compresses the specified file and removes the original

Variables

[hide private]

__doc__ = ...

glide_path = os.path.join(os.environ ['SCHRODINGER'], 'glide')

GLIDE_MERGE = os.path.join(os.environ ['SCHRODINGER'], 'utilit...

WRITE_DICE = False
hash(x)

Function Details

[hide private]

_get_reader(filename, astext=False, ignore_errors=False)

Returns a MaestroTextReader instance if specified file is a Maestro file; returns a StructureReader instance otherwise. Ev:61545

Variables Details

[hide private]

doc

Value:

"""
Glide Docking & Gridgen stages.

    DockingStage - stage for running Glide docking jobs

    GridgenStage - stage for generating Glide grids (not functional)
        HBOND_CONSTRAINTS: List of constraints in format: "label <atom
num>"
...

GLIDE_MERGE

Value:

os.path.join(os.environ ['SCHRODINGER'], 'utilities', 'glide_merge')