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2016-4 Schrodinger Python API
Package schrodinger :: Package application :: Package glide :: Package packages :: Module driver :: Class DockingSubjob
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Class DockingSubjob

             object --+    
                      |    
DockingJobFilenameMixin --+
                          |
                         DockingSubjob
Known Subclasses:

Objects of this class represent docking subjobs for which the ligand input file is provided by the caller. If the subjob needs to write its own ligand input file, use SplitDockingSubjob.

Instance Methods [hide private]
 
__init__(self, jobname, index, lignum, job, maxligs, ligfile=None, startlig=1)
x.__init__(...) initializes x; see help(type(x)) for signature
 
__str__(self)
str(x)
 
__getattr__(self, name)
 
isDone(self)
 
setupKeywords(self)
 
setLigfile(self, ligfile)
 
writeInputFile(self)
 
close(self)
 
isFull(self)
 
addLigand(self, st)
 
checkMolID(self, st)
 
filesToArchive(self)
 
filesToDelete(self)
 
getLignum(self, pose)
 
getScore(self, pose)
Return the score for a pose, or None if the pose should be skipped.
 
poseReader(self)

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

Class Variables [hide private]
  excluded_keywords = set(['CHDOCK_DRESSEDFILE', 'COMPRESS_POSES...
Properties [hide private]
  input_filename
  pose_outtype
  compress_poses
  pose_format
  cpu_time

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 [hide private]

__init__(self, jobname, index, lignum, job, maxligs, ligfile=None, startlig=1)
(Constructor)

 

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

Overrides: object.__init__
(inherited documentation)

__str__(self)
(Informal representation operator)

 

str(x)

Overrides: object.__str__
(inherited documentation)

Class Variable Details [hide private]

excluded_keywords

Value:
set(['CHDOCK_DRESSEDFILE',
     'COMPRESS_POSES',
     'LIGANDFILE',
     'LIGANDFILES',
     'LIGFORMAT',
     'OUTPUTDIR',
     'PCALIGN_PCFILE',
     'READBASE',
...

Property Details [hide private]

input_filename

Get Method:
unreachable.input_filename(self)

pose_outtype

Get Method:
unreachable.pose_outtype(self)

compress_poses

Get Method:
unreachable.compress_poses(self)

pose_format

Get Method:
unreachable.pose_format(self)

cpu_time

Get Method:
unreachable.cpu_time(self)

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2016-4 Schrodinger Python API
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