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 |