|
|
smarts_check(asl,
smarts,
*fns)
Usage $SCHRODINGER/run smarts_check_workup.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 |
|
|