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
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file residuum-0.1.0a2.tar.gz.
File metadata
- Download URL: residuum-0.1.0a2.tar.gz
- Upload date:
- Size: 9.1 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via:
uv/0.9.3
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
43c5858a41e5bca9947081cbdfcdc5be07e8b720657c0beef013423f8755a9d5
|
|
| MD5 |
1c0118ac5cecd4d515693bae706c3c72
|
|
| BLAKE2b-256 |
b9509ee42683fb7298d5fd3ae06f4ecc62446d5133d0dd7abcfc456aefd0389f
|
File details
Details for the file residuum-0.1.0a2-py3-none-any.whl.
File metadata
- Download URL: residuum-0.1.0a2-py3-none-any.whl
- Upload date:
- Size: 11.4 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via:
uv/0.9.3
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
4f7f1676f59b668e4d1cba5770bb0f7fd9ec3958a728a7d11c48a11ee03ca6b4
|
|
| MD5 |
a85413a9eef192ec49487c00fb872a73
|
|
| BLAKE2b-256 |
f01012ffe7442486368aa93388e94d2f1d23ce2a1a171e4fbf9992362db53783
|
