Package schrodinger :: Package test :: Package stu :: Package outcomes :: Module smarts_check
[hide private]
[frames] | no frames]

Module smarts_check

Functions [hide private]
 
assert_ct_smarts(ct, asl, desired_smarts, title)
 
smarts_check(asl, smarts, *fns)
Usage $SCHRODINGER/run smarts_check.py <asl> <smarts> <filename(s)> filename(s) are names of maestro structure files <asl> is an asl expression for a region <smarts> is a smarts expression Return a failure if ANY frame in the filename does not have any atoms that match the asl expression OR if the atoms that match the asl expression do not also match the smarts pattern