[sharp-discuss] Ta6Br12 cluster with run_autoSHARP

Francis Reyes Francis.Reyes at Colorado.EDU
Wed Aug 5 21:16:00 CEST 2015

Hi all, 

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.  




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