schrodinger.protein.tasks.binding_site_align module¶
- class schrodinger.protein.tasks.binding_site_align.Result(other_name, rmsd)¶
Bases:
tuple- other_name¶
Alias for field number 0
- rmsd¶
Alias for field number 1
- class schrodinger.protein.tasks.binding_site_align.BindingSiteAlignmentTask(*args, _param_type=<object object>, **kwargs)¶
Bases:
schrodinger.tasks.jobtasks.CmdJobTaskManages binding site alignment job for input structures.
- class Input(*args, _param_type=<object object>, **kwargs)¶
Bases:
schrodinger.models.parameters.CompoundParam- sts: List[schrodinger.structure._structure.Structure]¶
A parameter of the class.
- binding_site_cutoff: float¶
A parameter of the class.
- mapping_dist: float¶
A parameter of the class.
- previously_aligned: bool¶
A parameter of the class.
- align_sel_res_only: bool¶
A parameter of the class.
- res_list: List[schrodinger.protein.residue.Residue]¶
A parameter of the class.
- align_sel_res_onlyChanged¶
A
pyqtSignalemitted by instances of the class.
- align_sel_res_onlyReplaced¶
A
pyqtSignalemitted by instances of the class.
- binding_site_cutoffChanged¶
A
pyqtSignalemitted by instances of the class.
- binding_site_cutoffReplaced¶
A
pyqtSignalemitted by instances of the class.
- mapping_distChanged¶
A
pyqtSignalemitted by instances of the class.
- mapping_distReplaced¶
A
pyqtSignalemitted by instances of the class.
- previously_alignedChanged¶
A
pyqtSignalemitted by instances of the class.
- previously_alignedReplaced¶
A
pyqtSignalemitted by instances of the class.
- res_listChanged¶
A
pyqtSignalemitted by instances of the class.
- res_listReplaced¶
A
pyqtSignalemitted by instances of the class.
- stsChanged¶
A
pyqtSignalemitted by instances of the class.
- stsReplaced¶
A
pyqtSignalemitted by instances of the class.
- class Output(*args, _param_type=<object object>, **kwargs)¶
Bases:
schrodinger.tasks.jobtasks._CmdJobTaskOutput- sts: List[schrodinger.structure._structure.Structure]¶
A parameter of the class.
- rmsd_rows: List[schrodinger.protein.tasks.binding_site_align.Result]¶
A parameter of the class.
- incorporation_fileChanged¶
A
pyqtSignalemitted by instances of the class.
- incorporation_fileReplaced¶
A
pyqtSignalemitted by instances of the class.
- log_fileChanged¶
A
pyqtSignalemitted by instances of the class.
- log_fileReplaced¶
A
pyqtSignalemitted by instances of the class.
- output_filesChanged¶
A
pyqtSignalemitted by instances of the class.
- output_filesReplaced¶
A
pyqtSignalemitted by instances of the class.
- rmsd_rowsChanged¶
A
pyqtSignalemitted by instances of the class.
- rmsd_rowsReplaced¶
A
pyqtSignalemitted by instances of the class.
- stsChanged¶
A
pyqtSignalemitted by instances of the class.
- stsReplaced¶
A
pyqtSignalemitted by instances of the class.
- DEFAULT_TASKDIR_SETTING = 2¶
- writeInputFiles()¶
- makeCmd()¶
Returns command list based on input params :return: Command for align_binding_sites backend :rtype: list(str)
- readOutputFiles()¶
- calling_contextChanged¶
A
pyqtSignalemitted by instances of the class.
- calling_contextReplaced¶
A
pyqtSignalemitted by instances of the class.
- failure_infoChanged¶
A
pyqtSignalemitted by instances of the class.
- failure_infoReplaced¶
A
pyqtSignalemitted by instances of the class.
- input: parameters.CompoundParam¶
A parameter of the class.
- inputChanged¶
A
pyqtSignalemitted by instances of the class.
- inputReplaced¶
A
pyqtSignalemitted by instances of the class.
- job_configChanged¶
A
pyqtSignalemitted by instances of the class.
- job_configReplaced¶
A
pyqtSignalemitted by instances of the class.
- max_progressChanged¶
A
pyqtSignalemitted by instances of the class.
- max_progressReplaced¶
A
pyqtSignalemitted by instances of the class.
- nameChanged¶
A
pyqtSignalemitted by instances of the class.
- nameReplaced¶
A
pyqtSignalemitted by instances of the class.
- output: parameters.CompoundParam¶
A parameter of the class.
- outputChanged¶
A
pyqtSignalemitted by instances of the class.
- outputReplaced¶
A
pyqtSignalemitted by instances of the class.
- progressChanged¶
A
pyqtSignalemitted by instances of the class.
- progressReplaced¶
A
pyqtSignalemitted by instances of the class.
- progress_stringChanged¶
A
pyqtSignalemitted by instances of the class.
- progress_stringReplaced¶
A
pyqtSignalemitted by instances of the class.
- statusChanged¶
A
pyqtSignalemitted by instances of the class.
- statusReplaced¶
A
pyqtSignalemitted by instances of the class.