[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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