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

[frames] | no frames]

Class SplitDockingSubjob

             object --+        
                      |        
DockingJobFilenameMixin --+    
                          |    
              DockingSubjob --+
                              |
                             SplitDockingSubjob

Objects of this class represent docking subjobs using a split ligand input file. The ligand file is constructed from the jobname, and adding ligands to the job causes them to be appended to the ligand file.

Instance Methods

__init__(self, jobname, index, lignum, job, maxligs, **d)
x.__init__(...) initializes x; see help(type(x)) for signature

addLigand(self, st)

close(self)

filesToDelete(self)

Inherited from DockingSubjob: __getattr__, __str__, checkMolID, filesToArchive, getLignum, getScore, isDone, isFull, poseReader, setLigfile, setupKeywords, writeInputFile

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

Class Variables

Inherited from DockingSubjob: excluded_keywords

Properties

Inherited from DockingSubjob: compress_poses, cpu_time, input_filename, pose_format, pose_outtype

Inherited from DockingJobFilenameMixin: gz_ext, log_filename, out_ext, out_suffix, output_filename, outputdir, raw_filename, raw_suffix, skippedligs_filename, vcsm_filename

Inherited from object: __class__

Method Details

init(self, jobname, index, lignum, job, maxligs, **d)
(Constructor)

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

Overrides: object.__init__: (inherited documentation)

addLigand(self, st)

Overrides: DockingSubjob.addLigand

close(self)

Overrides: DockingSubjob.close

filesToDelete(self)

Overrides: DockingSubjob.filesToDelete