Template#

class pyjess.TemplateAtom#

A single template atom.

Added in version 0.4.0: Equality, hashing and pickle protocol support.

__init__(*args, **kwargs)#

copy()#

Create a copy of this template atom.

Returns:: TemplateAtom – A new template atom object with identical attributes.

Added in version 0.4.0.

classmethod load(file)#

Load a template atom from the given file.

Parameters:: file (str, os.PathLike or file-like object) – A file-like object opened in text or binary mode to read the template atom from.

classmethod loads(text)#

Load a template atom from the given string.

Parameters:: text (str, bytes or bytearray) – The atom line to read the atom metadata from.

atom_names#

The different atom names for this atom.

Changed in version 0.4.1: Property now returns a tuple rather than a list.

Type:: tuple of str

chain_id#

The identifier of the chain the atom belongs to.

Type:: str

distance_weight#

The distance weight for this atom.

Type:: float

match_mode#

The match mode for this particular atom.

Type:: int

residue_names#

The different residue names for this atom.

Changed in version 0.4.1: Property now returns a tuple rather than a list.

Type:: tuple of str

residue_number#

The residue sequence number.

Type:: int

x#

The x coordinate of the atom.

Type:: float

y#

The y coordinate of the atom.

Type:: float

z#

The z coordinate of the atom.

Type:: float

class pyjess.Template#

A template, as a sequence of TemplateAtom objects.

Added in version 0.4.0: Equality, hashing and pickle protocol support.

__getitem__(key, /)#: Return self[key].

__init__(*args, **kwargs)#

__len__()#: Return len(self).

copy()#

Create a copy of the template.

Returns:: Template – A new template object with identical attributes and a copy of the TemplateAtom it contains.

classmethod load(file, id=None)#

Load a template from the given file.

Parameters:

file (str, os.PathLike or file-like object) – Either the path to a file, or a file-like object opened in text mode to read the template from.
id (str, optional) – The identifier of the template. By default, the parser will take the one from the PDB_ID remark if found in the header.

Returns:

Template – The template parsed from the given file.

classmethod loads(text, id=None)#

Load a template from a string.

Parameters:

file (str, os.PathLike, or file-like object) – Either the path to a file, or a file-like object opened in text mode containing the template.
id (str, optional) – The identifier of the template. By default, the parser will take the one from the PDB_ID remark if found in the header.

Returns:

Template – The template parsed from the given string.

Template#

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