Galaxy | Tool Preview

Compound conversion (version 3.1.1+galaxy0)
Valid file types are: SDF, MOL, MOL2, CML, InChI, SMILES, and PDB
-1 means deactivated (-p)
e.g. [N+]([O-])=O to N(=O)=O (-b)

What this tool does

The compound converter combines several Open Babel command prompt converters into a single easy-to-use tool. It interconverts various chemistry and molecular modeling data files. The output format can be specified as well as several parameters. Some parameters are available for all tools (e.g. protonation state and pH) while others are specific for a given output format (e.g. exclude isotopes for conversion to canSMI).


Can be specified manually.