[phenixbb] anisotropic refinement gui more than one chain

Christian Roth christian.roth at bbz.uni-leipzig.de
Thu Jan 6 11:50:29 PST 2011


Dear all,

I want refine a structure with several chlorides and want refine these chlorides 
anisotropic. I use the GUI for the setup and manipulate the eff file just before 
it starts. To my surprise my constrained group definitions are used, but my 
anistropic refinement definitions are removed I incorporated it as followed:
 adp {
      individual {
        isotropic = None
        anisotropic = "chain a"
	anisotropic = "chain f"
	anisotropic = "chain Y"
	anisotropic = "chain T"
	anisotropic = "chain U"
	anisotropic = "chain z"
	anisotropic = "chain d"
	anisotropic = "chain g"
	anisotropic = "chain e"
	anisotropic = "chain V"
	anisotropic = "chain X"
	anisotropic = "chain n"
      }
but in the log the following is stated:
adp {
      individual {
        anisotropic = "chain a"
      }
Why are all the other definitions gone? And if I defined it wrong, how I have to 
define it correctly?
The current version I use is 1.6.4-486

Thanks 

Christian



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