qmworks.plams.tools.pdbtools.PDBHandler Class Reference

Inheritance diagram for qmworks.plams.tools.pdbtools.PDBHandler:

Collaboration diagram for qmworks.plams.tools.pdbtools.PDBHandler:

Public Member Functions
def	__init__ (self, textfile=None)
def	singlemodel (self)
def	read (self, f)
def	write (self, f)
def	calc_master (self)
def	check_master (self)
def	get_models (self)
def	add_record (self, record)
def	add_model (self, model)

Public Attributes
	records

Static Public Attributes
	old = self.records['_model']
	newmodel = PDBRecord('MODEL %4i' % 1)
	model
	endmdl = PDBRecord('ENDMDL')

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The documentation for this class was generated from the following file:

• /home/docs/checkouts/readthedocs.org/user_builds/pyfragdocument/checkouts/latest/qmworks/plams/tools/pdbtools.py