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<DIV dir=ltr align=left><SPAN class=843133818-06062009><FONT color=#0000ff
size=2 face=Arial>Dear Joel,</FONT></SPAN></DIV>
<DIV dir=ltr align=left><SPAN class=843133818-06062009> <FONT
color=#0000ff size=2 face=Arial>I received your previous email with the ms. Will
repy in a few days.</FONT></SPAN></DIV>
<DIV dir=ltr align=left><SPAN
class=843133818-06062009> <FONT
color=#0000ff size=2 face=Arial>Best,</FONT></SPAN></DIV>
<DIV dir=ltr align=left><SPAN
class=843133818-06062009>
<FONT color=#0000ff size=2 face=Arial>Mirek</FONT></SPAN></DIV><BR>
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<FONT size=2 face=Tahoma><B>From:</B> phenixbb-bounces@phenix-online.org
[mailto:phenixbb-bounces@phenix-online.org] <B>On Behalf Of </B>hari
jayaram<BR><B>Sent:</B> Saturday, June 06, 2009 10:02 AM<BR><B>To:</B> PHENIX
user mailing list<BR><B>Subject:</B> [phenixbb] coordinates and map shifted
after phenix.refine withoutsimulated annealing<BR></FONT><BR></DIV>
<DIV></DIV>Hi i am using phenix version 1.4 release tag
70<BR><BR>hari@charlie:~$ phenix.refine
--version<BR>-------------------------------------------------------------------------------<BR>
PHENIX: Python-based Hierarchical ENvironment for Integrated
Xtallography<BR> Version: 1.4<BR> Release tag: 70<BR>
Platform: intel-linux-2.6-x86_64 linux<BR> User:
hari<BR>-------------------------------------------------------------------------------<BR><BR><BR>I
am seeing a strange shifting of my coordinates "out of my experimental phases
map" before and after refinement without simulated annelaing<BR><BR>I am at
the final stages of my refinement. When I refine without simulated annealing
the resulting model is shifted relative to my experimental phases map into
which I build my model<BR>The phenix command line strategy i am using are
rigid_body+individual_sites+individual_adp+tls .or the same strategy with
simulated_annealing=true <BR><BR>The output map coefficients fortunately match
my model in both cases . But I am wondering why there is a difference.<BR>I am
using the mlhl target for refinement to 3.1 A , My R and rfree is 28/31
.<BR><BR>Any ideas why my model shifts without simulated annealing . All pdbs
have the same CRYST record .<BR>I am using coot version 0.61 for
my building and map display using fft inside of coot
.<BR><BR><BR>hari<BR><BR></BLOCKQUOTE></BODY></HTML>