[phenixbb] Help making selections
Pavel Afonine
PAfonine at lbl.gov
Thu Aug 23 15:53:02 PDT 2007
Hi James,
> I am trying to refine a structure where I want chains C and D refined
> anisotropically. Chain A refined isotropically and as a TLS group.
> Chain B refined isotropically and as a (separate) TLS group. Chain S
> (waters) just refined isotropically.
>
Here are the selections for this:
refine {
adp {
individual {
isotropic = chain A or chain B or chain S
anisotropic = chain C or chain D
}
tls = chain A
tls = chain B
}
}
Please let me know if you have any more questions or want me to comment
this.
Pavel.
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