Hi,<br><br>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&#39;t see it there. <br><br>Second thing is, I want to tighten the water picking. How can I do that?
<br><br>adp {<br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; individual {<br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; isotropic = &quot;all&quot;<br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; anisotropic = None<br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; }<br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; group = None<br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; one_adp_group_per_residue = True<br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; tls = &quot;chain A&quot;<br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; tls = &quot;chain B&quot;
<br><br><br>Best, Partha<br clear="all"><br><br>-- <br>MRC National Institute for Medical Research<br>Division of Molecular Structure<br>The Ridgeway, NW7 1AA, UK<br>Email: <a href="mailto:pchakra@nimr.mrc.ac.uk">pchakra@nimr.mrc.ac.uk
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