Sink refers to the collection of chemical species used by the restrosynthesis algorithm of RetroPath2.0 to finish metabolic route exploration. This tool uses an SBML file of the desired chassis organism, parses all the molecules within a specified compartment (example: cytoplasm, Golgi apparatus, nucleus, etc) and uses its MIRIAM annotation to find their InChI structures. Source code may be found at the following location: https://github.com/brsynth/rptools/tree/master/rptools/rpextractsink |
hg clone https://toolshed.g2.bx.psu.edu/repos/tduigou/rpextractsink
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
Generate the RetroPath2.0 sink file from an SBML input | 5.12.1 | 19.09 |