Hi Young-Jin,<div>Nigel who wrote the phenix.metal_coordination utility isn't back yet from the holidays. You may be running into a limitation of the utility. To work around it, I'd try with a temporary copy of the PDB file with the alternative conformers removed. The resulting .edits should be a good starting point.</div>
<div>If this doesn't get you on the right track could you send me (not the list) your pdb file?</div><div>Ralf<br><br><div class="gmail_quote">On Tue, Jan 3, 2012 at 10:19 AM, Young-Jin Cho <span dir="ltr"><<a href="mailto:yjcho@brandeis.edu">yjcho@brandeis.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi everyone and wish your happy new year.<br>
I have a question regarding phenix.metal_coordination. when I typed my<br>
pdb file that has two alternative conformations of different species<br>
including metal such as a metal(B) and a water(A). It seems like, in<br>
this case, phenix.metal_coordination doesn't read the metal.<br>
Otherwise, is there other way I can let make .edits file for this pdb<br>
file?<br>
<br>
Thanks always in advance,<br>
Young-Jin<br>
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</blockquote></div><br></div>