GNPS - External Proxy

External Structure Proxy for GNPS. The goal of this software to enable GNPS to link out to other resources as well as provide end points for GNPS to export data.

All GNPS Spectra

1. https://external.gnps2.org/gnpslibraryjson - All Library Spectra in GNPS
2. https://external.gnps2.org/gnpslibraryformattedwithpeaksjson - All Library Spectra in GNPS with Peaks
3. https://external.gnps2.org/gnpslibraryfornpatlasjson - All Library Spectra in GNPS formatted for NPAtlas to consume
4. https://external.gnps2.org/gnpslibraryfornpatlastsv - All Library Spectra in GNPS formatted for NPAtlas to consume

GNPS Libraries as MGF Files

1. https://external.gnps2.org/gnpslibrary/ALL_GNPS.mgf - MGF for ALL GNPS
2. https://external.gnps2.org/gnpslibrary/GNPS-LIBRARY.mgf - MGF for GNPS-LIBRARY

Linking out to external services from GNPS

1. Link to External Resources - Example
2. Link to NPAtlas - Example
3. Link to MIBIG - Example

Dataset in GNPS

1. List of Metabolights Imported Datasets - https://external.gnps2.org/datasets/metabolights
2. List of Metabolomics Workbench Imported Datasets - https://external.gnps2.org/datasets/metabolomicsworkbench

GNPS-MassIVE Dataset FTP to HTTPS proxy

This is accessible at

/massiveftpproxy?ftppath=<massive path to file>

Test Link

Local Deployment/Testing

1. Run the server with make-server-compose-interactive
2. Check the active ports (typically 5010, but can be seen in docker ps) and ensure they're forwarded if needed
3. Web serivce is now live at http://localhost:5010
4. If starting for the first time, collect the GNPS libraries by visiting http://localhost:5010