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pwtools.parse.CifFile
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pwtools.parse.CifFile.cif_clear_atom_symbol
¶
CifFile.
cif_clear_atom_symbol
(
st
,
rex
=
re.compile('([a-zA-Z]+)([0-9+-]*)')
)
[source]
¶
Remove digits and “+,-” from atom names.
Examples
>>>
cif_clear_atom_symbol
(
'Al1'
)
'Al'