[sharp-discuss] Ta6Br12 cluster with run_autoSHARP
Francis.Reyes at Colorado.EDU
Wed Aug 5 21:16:00 CEST 2015
I'm curious about how to look for Ta6Br12 clusters using the run_autoSHARP.sh utility
I supplied the line
'-ha "Ta6Br12:Ta" -nsit 10 -wvl 0.97921 hrem -mtz TaBr.mtz' but it seems to be only filling in Ta sites via the SPHCLUSTER Ta6Br12:Ta and not including Ta6Br12:Br. I have a (semi) isomorphous native and therefore, inclusion of both scattering factors makes sense.
More information about the sharp-discuss