schrodinger.application.glide.http_client module

Glide HTTP client

This module implements objects that connect to a Glide HTTP server (see schrodinger.application.glide.http_server) and use the server to dock ligands remotely.

Sample usage:

from schrodinger import structure from schrodinger.application.glide import http_client

client = http_client.HTTPClient(host=’localhost’, port=8000) ct = structure.Structure.read(‘mylig.mae’) poses = client.dock(ct) for pose in poses:

print “gscore=%f” % pose.properties[‘r_i_glide_gscore’]

class schrodinger.application.glide.http_client.HTTPClient(con=None, host='localhost', port=8000, timeout=1000)

Bases: object

ct_to_multipart(ct)

Encode a CT in multipart/form-data format, ready to POST. Returns the body of the request and the boundary

dock(ct)

Dock the ligand in Structure object ‘ct’ using the remote Glide server. Returns an iterator with the output pose(s).

shutdown_server()

Ask the Glide HTTP server to shut down.