[phenixbb] Another questions: water for adp and partial occupancy
yjcho at brandeis.edu
Thu Oct 22 13:56:15 PDT 2009
I thought we should put water molecules as isotropic and full occupancies. However, I saw different cases. So I am wondering the reasons for putting waters as anisotropic and with partial occupancies in an active sites. Does any one have this kind of experience or can you explain the advantage or disadvante of this types of strategy?
Thanks in advance,
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