6 Aug
2010
6 Aug
'10
10:42 p.m.
Hi Phil,
No, I was just suggesting that the trace of B-cryst be applied, in the same way that CNS does, so that less things are hidden in the header and that the B-iso for each atom would be the same as the effective B-iso for the atom after applying B-cryst.
I think this is exactly what we do: the trace of Bcryst is applied to atoms and only anisotropic component of Bcryst is "hidden" in "REMARK 3" records. Pavel.