PDBInf allows you to read PDB files using RDKit and assign bond orders from .cif (PDBx) template files.
# provide a PDBx defining the TPO nonstandard residue
nonstandard_residues = gemmi.cif.read('./tpo.cif')
# load a PDB file using the built-in standard amino acid doc and providing information on the nonstandard residues
pdbinf.load_pdb_file('./tpo.pdb', templates=[pdbinf.STANDARD_AA_DOC, nonstandard_residues])
5 maintainers
Metadata
5 maintainers
Release files for pdbinf 0.0.4
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| pdbinf-0.0.4.tar.gz | 131.1 kB | Without provenance | Details for pdbinf-0.0.4.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| pdbinf-0.0.4-py3-none-any.whl | Python 3 | none | any | Details for pdbinf-0.0.4-py3-none-any.whl |
Total release size: 270.7 kB
Release files / pdbinf-0.0.4.tar.gz
| Download URL | pdbinf-0.0.4.tar.gz |
|---|---|
| Size | 131.1 kB |
| Tags | Source |
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Release files / pdbinf-0.0.4-py3-none-any.whl
| Download URL | pdbinf-0.0.4-py3-none-any.whl |
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| Size | 139.6 kB |
| Tags | Python 3 |
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Security for pdbinf 0.0.4
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