This release is a pre-release and may not be stable for production use.
Residuum
Converting peptidoforms to residue SMILES using the PSI-MOD CV
Overview
Residuum converts peptide sequences in ProForma notation to a list of residue-level SMILES representations. It resolves modifications through the PSI-MOD ontology, supporting multiple modification formats.
Features
- ProForma parsing: Leverage Pyteomics for full ProForma v2 support
- PSI-MOD resolving: Query modifications by accession, name, or synonym
- Multiple formats: Support MOD:XXXXX, UNIMOD:XXX, modification names, custom SMILES
- Smart matching: Exact, approximate (parent terms), and fallback strategies
- Terminal handling: Automatic N-term/C-term SMILES reformatting to add H2N- and -COOH groups
Installation
pip install residuum
Release files for residuum 0.1.0a2
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
|---|---|---|---|---|
| residuum-0.1.0a2.tar.gz | 9.1 kB | Without provenance | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| residuum-0.1.0a2-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 20.5 kB
Release files / residuum-0.1.0a2.tar.gz
| Download URL | residuum-0.1.0a2.tar.gz |
|---|---|
| Size | 9.1 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
uv/0.9.3
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Release files / residuum-0.1.0a2-py3-none-any.whl
| Download URL | residuum-0.1.0a2-py3-none-any.whl |
|---|---|
| Size | 11.4 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
uv/0.9.3
|
Security for residuum 0.1.0a2
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