On Mon, Jul 16, 2012 at 1:08 AM, subhash bihani <span dir="ltr"><<a href="mailto:subhashbihani@gmail.com" target="_blank">subhashbihani@gmail.com</a>></span> wrote:<br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
In one of my structure I have to put some water molecule in alternate<br>
confimation with amino acid residues and in another case with ligand.<br>
How do I do it in Phenix.<br></blockquote><div><br></div><div>You just need to make sure the "altloc" identifier in the PDB file is set correctly for the atoms of interest. �Currently this requires opening the file in a text editor, but I hope to have a better solution available very soon. �The water molecule should have the same altloc as the amino acid residues which you want it to interact with - that is, if you set the altloc for the residues to A, the water also needs to be A. �You may want to constrain the occupancies to be the same; see the manual here:</div>
<div><br></div><div><a href="https://www.phenix-online.org/documentation/refinement.htm#anch111">https://www.phenix-online.org/documentation/refinement.htm#anch111</a></div><div><br></div><div>-Nat</div></div>