Introduction
pyXLMS supports export to the following down-stream analysis tools and file formats for crosslinks and crosslink-spectrum-matches.
Please note that all exporters check if the required information to create a successful export is available at runtime! If key information is missing, an error will be raised!
Please note that the exporters do not check which pre-processing steps have been carried out beforehand! Some down-stream analysis tools might require validated results, some might require raw results, some might require target matches only, some might require target and decoy matches, etc. Which filtering steps are applied before export are up to you - the user - and your own responsibility. Please read the instructions of the down-stream analysis tool you want to use and get familiar with it and the required data before exporting! The exporter tutorial pages also give a short overview of recommended pre-processing steps!
Available Exporters with Documented Tutorial Pages
- Exporting Crosslinks to AlphaLink2
- Exporting Results to IMP-X-FDR
- Exporting Results to MS Annika Format
- Exporting Crosslink-Spectrum-Matches to ProXL
- Exporting Crosslinks to PyXlinkViewer
- Exporting Crosslink-Spectrum-Matches to xiFDR
- Exporting Crosslinks to xiNET and xiVIEW
- Exporting Crosslinks to XLinkDB
- Exporting Crosslinks to xlms-tools
- Exporting Crosslinks to XMAS
Overview of Supported Down-Stream Analysis Tools and Export Formats
The following abbreviations are used:
- CSMs: crosslink-spectrum-matches
- XLs: crosslinks/residue pairs
The following export options are currently available:
| Tool/Format | Exporter | CSMs | XLs | Page | API Docs | Tool Link |
|---|---|---|---|---|---|---|
pandas.DataFrame/.csv/.xlsx/.json | transform.to_dataframe() | ✅ | ✅ | link | link | |
| AlphaLink2 | exporter.to_alphalink2() | ❌ | ✅ | link | link | link |
| IMP-X-FDR | exporter.to_impxfdr() | ✅ | ✅ | link | link | link |
| MS Annika | exporter.to_msannika() | ✅ | ✅ | link | link | link |
| ProXL | exporter.to_proxl() | ✅ | ❌ | link | link | link |
| PyXlinkViewer (pyMOL) | exporter.to_pyxlinkviewer() | ❌ | ✅ | link | link | link |
| xiFDR | exporter.to_xifdr() | ✅ | ❌ | link | link | link |
| xiNET | exporter.to_xinet() | ❌ | ✅ | link | link | link |
| xiVIEW | exporter.to_xiview() | ❌ | ✅ | link | link | link |
| XlinkDB | exporter.to_xlinkdb() | ❌ | ✅ | link | link | link |
| xlms-tools | exporter.to_xlmstools() | ❌ | ✅ | link | link | link |
| XMAS (ChimeraX) | exporter.to_xmas() | ❌ | ✅ | link | link | link |
API Summary
Here’s a quick summary of the available functions, their page links and their API documentations:
| Function Name | Page | API Docs |
|---|---|---|
exporter.to_alphalink2() | link | link |
exporter.to_impxfdr() | link | link |
exporter.get_msannika_crosslink_sequence() | link | |
exporter.to_msannika() | link | link |
exporter.to_proxl() | link | link |
exporter.to_pyxlinkviewer() | link | link |
exporter.to_xifdr() | link | link |
exporter.to_xinet() | link | link |
exporter.to_xiview() | link | link |
exporter.to_xlinkdb() | link | link |
exporter.to_xlmstools() | link | link |
exporter.to_xmas() | link | link |