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Hi Ming,<br>
<br>
can you send me the PDB file or its portion that still results in
problem?<br>
<br>
Pavel<br>
<br>
On 2/27/12 1:47 PM, Ming wrote:
<blockquote
cite="mid:CADDqwc+_-Q1FBVqqq1Uj46-aBxxb3iE0a10HQoutAae=yEH8tg@mail.gmail.com"
type="cite">Hi all,<br>
<br>
I was trying to refine a protein with phenix.refine. I want to
refine AMSE and BMET with occupancies 0.5 and 0.5.<br>
What I did is modifying the pdb file by copy the coordinates of
MET to MSE, and change the names to be AMSE and BMET, modifying
the occupancy to be 0.5 and 0.5 for each one. Everything else like
the atom names have been taken care of too. I used the readyset to
make sure the pdb file is good. But phenix.refine keeps giving me
error saying "numbers of atoms with unknown nonbonded energy type
symbols ". Anyone here can help me with this please?<br>
Thanks in advance,<br clear="all">
<br>
<br>
<br>
<br>
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