.. SOAP documentation master file, created by sphinx-quickstart on Wed May 14 11:06:57 2014. You can adapt this file completely to your liking, but it should at least contain the root `toctree` directive. Calculate SOAP poential for ranking small molecule ligands. =========================================================== Directory: SOAP/examples/soap_lig/. Only step 3 is shown here. 3. Run SOAP script to select models. .. literalinclude:: ../examples/soap_lig/superscript.py