Atoms

Module for writing or modifying atom identifiers within PDB file lines.

write_atom_id(line, atom_id)

Writes a new atom ID into a specific PDB line.

This function takes a PDB line and an integer representing the new atom ID. It formats the atom ID to fit within the standard atom serial number columns (columns 7-11, inclusive) of a PDB file line and then uses the write_in_pdb_line utility function to insert this new ID into the line.

PARAMETER	DESCRIPTION
line	The PDB line to be modified. This should be a standard PDB format line, typically starting with "ATOM" or "HETATM". TYPE: str
atom_id	The new atom ID (serial number) to be written into the PDB line. TYPE: int

RETURNS	DESCRIPTION
str	The modified PDB line with the new atom ID written into the appropriate columns.

Examples:

>>> line = "ATOM      1  N   MET A   1      10.000  20.000  30.000  1.00 20.00           N"
>>> new_line = write_atom_id(line, 100)
>>> print(new_line)
ATOM    100  N   MET A   1      10.000  20.000  30.000  1.00 20.00           N