The rem_complex tool filters out coordination complexes from a list of structure representations (SMILES, InChI). |
hg clone https://toolshed.g2.bx.psu.edu/repos/recetox/rem_complex
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
Remove molecular coordination complexes from a list of structure representations | 1.0.0+galaxy2 | 21.09 |