[phenixbb] Confused with ANAISOU in PDB

Partha Chakrabarti ppchak at gmail.com
Tue Oct 9 06:09:30 PDT 2007


I am bit confused with two things. First I did specify individual isotopic,
as following, still see ANAISOU in PDB. Is it from TLS strategy? I have used
TLS in refmac, don't see it there.

Second thing is, I want to tighten the water picking. How can I do that?

adp {
      individual {
        isotropic = "all"
        anisotropic = None
      group = None
      one_adp_group_per_residue = True
      tls = "chain A"
      tls = "chain B"

Best, Partha

MRC National Institute for Medical Research
Division of Molecular Structure
The Ridgeway, NW7 1AA, UK
Email: pchakra at nimr.mrc.ac.uk
Phone: + 44 208 816 2515
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