23 Aug
2007
23 Aug
'07
10:53 p.m.
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.