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Thanks Ralf,<br>
Actually that's what I did after several trials and errors. Once I
deleted alternative conformers of waters (only metal), there was no
problem. After that, I manually added B for the metal.<br>
<br>
Thanks again.<br>
<br>
Young-Jin<br>
<br>
On 1/3/12 4:06 PM, Ralf Grosse-Kunstleve wrote:
<blockquote
cite="mid:CAPbyqJFQo2dd1SOLTq_c65YFpJhb+96TzoT_-CW0OAg7Ut4MGw@mail.gmail.com"
type="cite">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 moz-do-not-send="true"
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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