xyzToPdb
Convert .xyz to .pdb (guess residues).
Problem:
Someone converted file.pdb to file.xyz but only gave you file.xyz => you can't visualize the protein(s) in file.xyz (because it has no residue information).
Solution: pip install xyzToPdb; xyzToPdb file.xyz # outputs file.pdb
Inspired by this stackexchange post.
How?
Runs a Transformer trained with the loss cross_entropy(Transformer(file.xyz) - file.pdb) on 80% of PDB anno 2024. The model got ~99% residue_acc and ~99% ca_cb_acc on the 20% validation set.
1 maintainer
Metadata
1 maintainer
Release files for xyzToPdb 0.1.7
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| xyztopdb-0.1.7.tar.gz | 6.6 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| xyztopdb-0.1.7-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 13.9 kB
Release files / xyztopdb-0.1.7.tar.gz
| Download URL | xyztopdb-0.1.7.tar.gz |
|---|---|
| Size | 6.6 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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| Uploaded via |
twine/6.1.0 CPython/3.12.7
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Release files / xyztopdb-0.1.7-py3-none-any.whl
| Download URL | xyztopdb-0.1.7-py3-none-any.whl |
|---|---|
| Size | 7.3 kB |
| Tags | Python 3 |
|
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.1.0 CPython/3.12.7
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