Required Parameters¶
-
-in
¶
File containing one or more molecular connection tables to be processed by OMEGA. Multiple input files of the same format can be merged together into a single input file using the cat command. A pipe can be used to avoid writing the merged input file to disk.
cat filename1.ism filename2.ism | oeomega classic -in .ism -out output.oeb.gz
Supported file formats: cxsmiles, ism, mol2, oeb, oez, sdf, smi, and the corresponding compressed formats (i.e., xx.gz).
lst
, andlist
formats containing lists of supported files are also applicable.