schrodinger.application.bioluminate.workspacelabeler

Module workspacelabeler

Classes

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WorkspaceLabeler
Class with methods for manipulating workspace atom labels.

Functions

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removeBadOptions()
Test each option in DEFAULT_OPTIONS and remove any bad or deprecated ones.

Variables

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__doc__ = ...

maestro = None
hash(x)

SAVE_FMT_PROP = 's_bioluminate_saved_label_format'

DEFAULT_OPTIONS = {'1charge': 'FALSE', '1chargeformatstring': ...

Variables Details

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doc

Value:

"""
A module containing a class for labeling atoms in the workspace.

Copyright Schrodinger, LLC. All rights reserved.

"""

DEFAULT_OPTIONS

Value:

{'1charge': 'FALSE', '1chargeformatstring': '%C1.3', '2charge': 'FALSE
', '2chargeformatstring': '%C2.3', 'acolor': 'TRUE', 'anum': 'FALSE', 
'anumformatstring': '%NU', 'atomicnumber': 'FALSE', 'atomname': 'FALSE
', 'atomnameformatstring': '%AT', 'atype': 'FALSE', 'atypeformatstring
': '%TY', 'chain': 'FALSE', 'chainformatstring': '%CH', 'chirality': '
FALSE', 'chiralityformatstring': '%CY', 'cindex': '2', 'compositionfie
lds': '', 'dmsopka': 'FALSE', 'dmsopkaformatstring': '%DP', 'element':
 'FALSE', 'elementformatstring': '%EL', 'entryname': 'FALSE', 'entryna
...