Hey guys, is it possible to set an tanimoto cutoff while i do an similarity search using the DbCLI?
And it is possible to put the results of the search to an file? I don't find the parameters for that. Have any body experience to create the db for the DbCLI with the complete pubchem compound database. I know that this could be take a lot of time and create big files but i need it. My problem is that the pubchem database comes up with several sdfiles and not with only one like chembl. Greetz Jochen ------------------------------------------------------------------------------ This SF email is sponsosred by: Try Windows Azure free for 90 days Click Here http://p.sf.net/sfu/sfd2d-msazure _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
