Create MSP files containing the isotopic patterns for given molecules with given adducts. The tool is based on enviPat and the RforMassSpectrometry toolbox. |
hg clone https://toolshed.g2.bx.psu.edu/repos/recetox/isolib
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
create an isotopic pattern library for given compounds and adducts based on enviPat | 2.6+galaxy0 | 21.09 |