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Updated Unimod
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douweschulte committed Sep 10, 2024
1 parent 3298c20 commit ee05d0e
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2 changes: 1 addition & 1 deletion proforma_grammar.md
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Expand Up @@ -5,7 +5,7 @@ The ProForma specification is fully supported ('level 2-ProForma + top-down comp
## Sources for the downloaded files

- PSI-MOD: https://github.com/HUPO-PSI/psi-mod-CV (2021-06-13 v1.031.6)
- Unimod: http://www.unimod.org/obo/unimod.obo (2024-02-29 10:49)
- Unimod: http://www.unimod.org/obo/unimod.obo (2024-08-12 11:33)
- RESID: ftp://ftp.proteininformationresource.org/pir_databases/other_databases/resid/ (2018-04-31 RESIDUES.XML)
- XL-MOD: https://raw.githubusercontent.com/HUPO-PSI/mzIdentML/master/cv/XLMOD.obo (2021-03-23 1.1.12)
- GNO: http://purl.obolibrary.org/obo/gno.obo (2024-05-21) structures: https://glycosmos.org/download/glycosmos_glycans_list.csv (downloaded 2024-07-02)
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6 changes: 2 additions & 4 deletions rustyms-py/src/lib.rs
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Expand Up @@ -4,11 +4,9 @@ use std::fmt::Debug;
use std::num::NonZeroU16;

use ordered_float::OrderedFloat;
use pyo3::prelude::*;
use pyo3::{exceptions::PyValueError, types::PyType};
use pyo3::{exceptions::PyValueError, prelude::*, types::PyType};

use rustyms::{AnnotatableSpectrum, Chemical, MultiChemical};
use rustyms::{Linked, SequencePosition};
use rustyms::{AnnotatableSpectrum, Chemical, Linked, MultiChemical};

/// Mass mode enum.
#[pyclass(eq, eq_int)]
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Binary file modified rustyms/databases/unimod.obo.gz
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1 change: 1 addition & 0 deletions rustyms/src/peptide/linear_peptide.rs
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Expand Up @@ -46,6 +46,7 @@ use std::{
/// The following features are always allowed:
/// * N and C terminal modifications (although cross-linkers are only allowed with [`Linked`])
/// * The use of non-standard amino acids that have one chemical formula (J/X/U/O)
/// * [Modification](SimpleModification)s on amino acids
///
/// ## Cross-links
/// Cross-links either bind together two separate peptides or form a loop within a single peptide.
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