drugforge.spectrum.calculate_rmsd.convert_chain_id

drugforge.spectrum.calculate_rmsd.convert_chain_id(chain: str) str[source]

Convert a chain identifier between letter and number representations. The ASCII values for lowercase letters start from a=97, so we subtract/add 96 to convert.

Parameters:

chain (str) – 1 or 3-letter chain identifier.

Returns:

Converted chain identifier.

Return type:

str