Required Parameters

-query

Inputs the query or reference molecule.

-in
-dbase

Inputs file containing one or more 3D molecules to overlay and score against a reference or query molecule.

File format for -in can be one of:

File type

Extension

OEBinary

.oeb .oeb.gz .oez

SDF

.sdf .mol .sdf.gz

MOL2

.mol2 .mol2.gz