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Description
Describe the bug
When setting as_string=True
and passing the PDB content as a string, an error is raised.
To Reproduce
Using PDB-ID 3W32
as an example:
from plip.structure.preparation import PDBComplex
c=PDBComplex()
c.load_pdb(Path("3w32.pdb").read_text(), as_string=True)
raises:
OSError: No such file: 'HEADER TRANSFERASE[/TRANSFERASE](http://localhost:8892/TRANSFERASE) INHIBITOR 07-DEC-12 3W32
TITLE EGFR KINASE DOMAIN COMPLEXED WITH COMPOUND 20A
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: EPIDERMAL GROWTH FACTOR RECEPTOR;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: KINASE DOMAIN, UNP RESIDUES 696-1022;
COMPND 5 SYNONYM: PROTO-ONCOGENE C-ERBB-1, RECEPTOR TYROSINE-PROTEIN KINASE
COMPND 6 ERBB-1;
COMPND 7 EC: 2.7.10.1;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
...
Additional context
PLIP version: 2.4.0
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