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<div class="moz-cite-prefix">Hi Nicolas,</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">what do you use as input to generate
the cif with grade, phenix.elbow, acedrg.</div>
<div class="moz-cite-prefix">A smiles code, sdf or pdb?</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">I am working with fragments and many
different ligands. Smiles code are often the best format to use
as input. <br>
</div>
<div class="moz-cite-prefix">HTH</div>
<div class="moz-cite-prefix">Best regards, <br>
</div>
<div class="moz-cite-prefix">Guenter<br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<blockquote type="cite"
cite="mid:1596122433.827330.1612524275413.JavaMail.zimbra@ibs.fr">
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12pt; color: #000000">
<div>Dear Buster users, </div>
<div><br data-mce-bogus="1">
</div>
<div>I am struggling in the refinement process of a fluorescent
protein. This protein is rsEGFP2. pdb code : 5O8A for
example. </div>
<div>In my cases, the chromophore (aka PIA). Has a slightly
unexpected conformation. The problem is I can't refine it
properly using buster. </div>
<div>I generate a cif file using several method (phenix elbow,
using ccp4 and using your servers) no matter the way. Some of
these cif files can be use by buster, but I face two problems,
depending of the file, the PIA suffers from sever distortion,
or reversely is not refined at all. </div>
<div>To be honnest I try other refinement program (phenix refine
or refmac) and both looks to interpret the cif file in a
different way. It means that the PIA conformation looks from
"fully exploded" to not pure theoretical geometry. </div>
<div><br data-mce-bogus="1">
</div>
<div>If somebody could help me with this cif file generation, I
will be more than happy.</div>
<div><br data-mce-bogus="1">
</div>
<div>All the best, </div>
<div><br data-mce-bogus="1">
</div>
<div>Nicolas</div>
</div>
<br>
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