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Hi,<br>
<br>
<blockquote
cite="mid:33fd30c80909111449l4e481945j3fa7d8551972870@mail.gmail.com"
type="cite">I have Zn atoms in my pdb for refinement. However, it
failed with the following scripts. Do I have to create a libary of this
heavy atom?<br>
</blockquote>
<br>
no, you shouldn't. Zn should be recognized automatically if it is
properly defined in input PDB file. I just verified that if it is
formatted like this:<br>
<br>
<small><font face="Courier New, Courier, monospace">HETATM 2306 ZN
ZN D 1 24.598 75.945 -1.390 1.00 5.00 ZN</font></small><br>
<br>
then it works fine. I'm not sure if capitalization is important as well
as HETATM instead of ATOM - this is something you can try in no time.<br>
<br>
Pavel.<br>
<br>
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