PDBFixer Wheel
This is clone of PDBFixer package released as wheel on to PyPI.
Install PDBFixeruse via PyPI using pdbfixer-wheel
pip install pdbfixer-wheel
PDBFixer
PDBFixer is an easy to use application for fixing problems in Protein Data Bank files in preparation for simulating them. It can automatically fix the following problems:
- Add missing heavy atoms.
- Add missing hydrogen atoms.
- Build missing loops.
- Convert non-standard residues to their standard equivalents.
- Select a single position for atoms with multiple alternate positions listed.
- Delete unwanted chains from the model.
- Delete unwanted heterogens.
- Build a water box for explicit solvent simulations.
See our manual
Installation
PDBFixer can be installed with conda or mamba.
conda install -c conda-forge pdbfixer
Alternatively you can install from source, as described in the manual.
Or install PDBFixer via PyPI using pdbfixer-wheel
pip install pdbfixer-wheel
1 maintainer
Release files for pdbfixer-wheel 1.12.4
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| pdbfixer_wheel-1.12.4.tar.gz | 659.4 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| pdbfixer_wheel-1.12.4-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 1.3 MB
Release files / pdbfixer_wheel-1.12.4.tar.gz
| Download URL | pdbfixer_wheel-1.12.4.tar.gz |
|---|---|
| Size | 659.4 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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Transparency logRelease files / pdbfixer_wheel-1.12.4-py3-none-any.whl
| Download URL | pdbfixer_wheel-1.12.4-py3-none-any.whl |
|---|---|
| Size | 677.2 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/6.1.0 CPython/3.13.7
|
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
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