schrodinger.application.glide.client_module module

Defines interfaces for Glide client modules.

The GlideClientModule defines the functions and signatures expected in a client module.

GlideClientModuleAdapter will accept a module name, load it, validate its contents, and expose the module functionality in a way that can be used with the run_docking_workflow function in the ‘runner’ module.

class schrodinger.application.glide.client_module.GlideClientModule(*args, **kwargs)

Bases: Protocol

start(options: str)

stop()

push_ligand(ct_handles: List[int], message: str)

pull_ligand()

get_reflig()

__init__(*args, **kwargs)

class schrodinger.application.glide.client_module.GlideClientModuleAdapter(module_name, options, jobname, logger, glide_config=None)

Bases: object

Interface for connecting a module defined by the CLIENT_MODULE keyword in the Glide input file to the workflow runner. The module itself is a stateful object which is expected to implement the following callables:

- push_ligand
- pull_ligand
- start
- stop
- get_reflig (optional)

The instantiated class will expose these functions so they can be called in a way compatible with the Glide docking workflow function.

module: schrodinger.application.glide.client_module.GlideClientModule

__init__(module_name, options, jobname, logger, glide_config=None)

stReader()

poseWriter(sts)

skippedStWriter(st)