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<DIV>Hi,</DIV>
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<DIV>I am trying to make an SA-omit Fo-Fc map for a sugar ligand (chain B) bound
to protein (structure solved by MR), without doing any rebuilding of protein or
ligand – just calculate an Fo-Fc map that I can load into PyMol.</DIV>
<DIV></DIV>
<DIV>So far I used the AutoBuild – Create omit map module with these settings
:</DIV>
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<DIV>- input files : model (protein+ligand+waters), data (.mtz), restraints for
sugar ligand (.cif)</DIV>
<DIV>- omit map type : simulated annealing</DIV>
<DIV>- omit region : omit selection</DIV>
<DIV>- omit map options : keep input waters, omit chain list :
omit_chain_list chainB</DIV>
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<DIV>However, the ligand gets modified even though I use “omit_chain_list
chainB”. </DIV>
<DIV>What are the parameters to set to keep the model (protein, ligand, waters)
from being rebuilt ?</DIV>
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<DIV>Furthermore, what is the procedure to load the SA Fo-Fc omit map into pymol
?</DIV>
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<DIV>Phenix version is 1.6.4-486.</DIV>
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<DIV>Thanks in advance,</DIV>
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<DIV>Tjaard</DIV>
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<P><FONT size=2 face=Verdana><B><FONT color=#333399>Ing. Tjaard
Pijning</FONT><BR></B></FONT><FONT color=#808080 size=1 face=Verdana>Research
Assistant<BR><BR>Protein Crystallography Group<BR>Nijenborgh 7<BR>9747 AG
Groningen<BR>The Netherlands<BR>(31)(0)50 363 43 85</FONT></P>
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