Package schrodinger :: Package application :: Package glide :: Package packages :: Module driver :: Class DockingDriver

Class DockingDriver

object --+
         |
        DockingDriver

Driver for distributing a docking job.

Instance Methods

[hide private]

__init__(self, keywords, jobname, options)
x.__init__(...) initializes x; see help(type(x)) for signature

run(self)

setUp(self)

postProcess(self)

storeCommandLine(self)

setRestartCount(self)

setupInputs(self)

registerLogFiles(self)

setupGrids(self)
Extract the contents of the grid archive to a temporary directory if the subjobs will be running locally.

setupSubjobs(self)

writeGlideInputFiles(self)

runSubjobs(self)

incorporateSubjob(self, subjob)

checkIfAllLigsDone(self)

writePoses(self)

writeSkippedLigs(self)

concatenateVcsm(self)

computeCpuTime(self)

reportCpuTime(self)

archiveAndCleanup(self)

createArchives(self)

concatenateCSVFiles(self)

add_rows_for_missing_ligands(self, csvwriter, start, end, header_string)

concatenateLogs(self)

archivePoses(self)

archiveSubjobs(self)

cleanUp(self)

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

[hide private]

restart_suffix

Inherited from object: __class__

Method Details

[hide private]

init(self, keywords, jobname, options)
(Constructor)

x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__: (inherited documentation)

Property Details

[hide private]

restart_suffix

Get Method:: unreachable.restart_suffix(self)

Class DockingDriver

__init__(self, keywords, jobname, options) (Constructor)

restart_suffix

init(self, keywords, jobname, options)
(Constructor)