Package jaguar

Jaguar-related modules.

Version: 1.0

Submodules

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schrodinger.application.jaguar.basis: Utility functions for dealing with Jaguar basis sets
schrodinger.application.jaguar.check_headers
schrodinger.application.jaguar.chirality
schrodinger.application.jaguar.constants: Constants used in unit conversion.
schrodinger.application.jaguar.gui
- schrodinger.application.jaguar.gui.base_panel
- schrodinger.application.jaguar.gui.basis_selector
- schrodinger.application.jaguar.gui.edit_dialog
- schrodinger.application.jaguar.gui.filedialog: Custom file dialogs for the Jaguar GUIs
- schrodinger.application.jaguar.gui.input_tab_widgets
- schrodinger.application.jaguar.gui.input_tab_widgets_hb
- schrodinger.application.jaguar.gui.input_tab_widgets_pka
- schrodinger.application.jaguar.gui.tabs
- schrodinger.application.jaguar.gui.theory_tab_widgets
- schrodinger.application.jaguar.gui.ui
- schrodinger.application.jaguar.gui.utils: Utility functions and classes for the Jaguar GUIs
schrodinger.application.jaguar.input: Functions and classes for reading and creating Jaguar input files.
schrodinger.application.jaguar.jaguar_diff: Classes for parsing Jaguar output files and accessing output properties programmatically.
schrodinger.application.jaguar.jaguar_keyword_utils: functions to help grab keywords from xml and jaguar input files
schrodinger.application.jaguar.keywordDB
schrodinger.application.jaguar.make_headers
schrodinger.application.jaguar.mmjag: A wrapper to the C mmjag functions.
schrodinger.application.jaguar.output: Classes for parsing Jaguar output files and accessing output properties programmatically.
schrodinger.application.jaguar.reactiq_input: Functions and classes for defining the input to a Reactiq workflow.
schrodinger.application.jaguar.reactiq_input_constants
schrodinger.application.jaguar.reactiq_keywords: This module documents all possible Reactiq input keywords.
schrodinger.application.jaguar.reactiq_validation: Reactiq keywords input validation and specialized Exceptions
schrodinger.application.jaguar.results: Classes for parsing Jaguar output files and accessing output properties programmatically.
schrodinger.application.jaguar.rmsd: This module is a subclass of schrodinger.structutils.rmsd to provide ability to do searching over more permutations of possible renumbering.
schrodinger.application.jaguar.scan: Support functions and classes for Jaguar scans.
schrodinger.application.jaguar.textparser: Classes for parsing Jaguar output files and accessing output properties programmatically.
schrodinger.application.jaguar.user_config: User profiles and configuration support for Jaguar input files
schrodinger.application.jaguar.utils: Jaguar utility functions.
schrodinger.application.jaguar.validation: Jaguar keywords input validation and specialized Exceptions

Functions

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no_stack(etype, value, tb)
An exception hook that prints out slightly less frightening error messages.

script_dir()
Return the script directory under the Jaguar installation that has python scripts installed.

Variables

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__package__ = 'schrodinger.application.jaguar'

Function Details

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no_stack(etype, value, tb)

An exception hook that prints out slightly less frightening error messages.

Use by setting sys.excepthook = no_stack.