Skip to content

as_string=True argument does not work in plip.structure.preparation.PDBComplex.load_pdb() #186

@AAriam

Description

@AAriam

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

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions