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2. Overview over TEMpy

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4. Structure Instance Informations

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3. Parser for Structure Instance

class PDBParser.PDBParser[source]

A class to read PDB files either directly from the pdb or a structure instance from Biopython

static bio_strcuture_to_TEMpy(filename, structure, hetatm=False, water=False)[source]

filename = name of pdb file hetatm = Boolean representing whether to add hetatm to the structure.Default and Raccomanded is False. water = Boolean representing whether to add water to the structure.Default and Raccomanded is False.

static fetch_PDB(id, output_file, hetatm=False, water=False)[source]
static read_PDB_file(filename, hetatm=False)[source]

Read PDB file and create Structure instance based upon it.

Argument:

filename
name of pdb file
hetatm
Boolean representing whether the PDB file contains hetatom.