<div dir="ltr">Hi Partha,<div><br></div><div>You can turn off the ncs with "find_ncs=False" in either GUI or command-line.</div><div><br></div><div>It is harder to only work on part of the molecule. If you can use "rebuild_in_place" (not adding/deleting residues) then you can specify a range of residues/chains to rebuild. However if you are adding/deleting with rebuild_in_place=False, you are stuck. One solution is rebuild all of it, and then recombine with the good (fixed) molecule using phenix.combine_models which should keep (most of ) your good chain.</div><div><br></div><div>All the best,</div><div>Tom T</div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr">On Sat, Dec 15, 2018 at 4:55 PM Parthasarathy Sampathkumar <<a href="mailto:spartha2@gmail.com">spartha2@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Dear All, <div><br></div><div><span style="color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif,serif,EmojiFont;font-size:16px">These days my research often involves structure determination of the Antigen:Fab complexes, wherein the antigen structure is already known. Given this: (1). I would like to run AutoBuild in such a way that the program does not to touch antigen model, but only Re-builds only the Fab molecule; and (2). in some cases, due to structural-symmetry within the variable and constant domains of heavy- and light- chains, AutoBuild is searching and applying NCS operator while it is not present, and would like to avoid the same.</span></div><div><span style="color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif,serif,EmojiFont;font-size:16px">How could these be done either in GUI or in command-line?!!</span><br></div><div><span style="color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif,serif,EmojiFont;font-size:16px"><br></span></div><div><span style="color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif,serif,EmojiFont;font-size:16px">Many Thanks in advance, </span></div><div><span style="color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif,serif,EmojiFont;font-size:16px">Best Wishes</span><br></div><div><span style="color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif,serif,EmojiFont;font-size:16px">Partha</span></div><div><span style="color:rgb(0,0,0);font-family:Calibri,Helvetica,sans-serif,serif,EmojiFont;font-size:16px">PS: Of course, when the data is at "high-enough resolution", I build Fab model manually after MR and Refinement. But, in the above case, resolution is only 3-ish angstrom.</span></div></div>
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Unsubscribe: <a href="mailto:phenixbb-leave@phenix-online.org" target="_blank">phenixbb-leave@phenix-online.org</a></blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr">Thomas C Terwilliger<div>Laboratory Fellow, Los Alamos National Laboratory</div><div>Senior Scientist, New Mexico Consortium</div><div>100 Entrada Dr, Los Alamos, NM 87544</div><div>Email: <a href="mailto:tterwilliger@newmexicoconsortium.org" target="_blank">tterwilliger@newmexicoconsortium.org</a></div><div>Tel: 505-431-0033</div><div><br></div></div></div></div></div></div></div></div>