<div dir="ltr">Hi Ashley,<div><br></div><div>Do you have "local_grid_search" box checked in refinement settings->strategy when running 1.14? This should be on by default since 1.14, but it was not the case in 1.13. Sometimes people using .eff files from 1.13 in later versions end up without old defaults for refinement strategy, disabling rotamer fitting.</div><div><br></div><div>I can have a closer look if you send me the .log file (off-list).</div><div><br></div><div>Best regards,</div><div>Oleg Sobolev.</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Feb 27, 2019 at 10:56 AM Ashley Pike <<a href="mailto:ashley.pike@sgc.ox.ac.uk">ashley.pike@sgc.ox.ac.uk</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">
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<p class="MsoNormal">Hi - Am I right in thinking that rotamer restraints behaves differently in latest official release (1.14-3260) compared to last but one official release (1.13-2998)? Issuing rotamer_restraints=True from command line or GUI used to give
0% rotamer outliers in the molprobity analysis at end of log in 1.13-2998 but now in 1.14 gives non-zero for same input model. It is as if they are not being applied.<u></u><u></u></p>
<p class="MsoNormal"><u></u> <u></u></p>
<p class="MsoNormal">In the old log file it used to clearly print - **Update rotamer restraints*** after every macrocycle, in the 1.14 logs this is omitted.<u></u><u></u></p>
<p class="MsoNormal"><u></u> <u></u></p>
<p class="MsoNormal">Many thanks,<u></u><u></u></p>
<p class="MsoNormal">Ashley<u></u><u></u></p>
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