Author: bugman Date: Tue Oct 13 10:10:34 2015 New Revision: 28043 URL: http://svn.gna.org/viewcvs/relax?rev=28043&view=rev Log: Removed two old pages from the HTML manual at http://www.nmr-relax.com/manual/index.html . These are for the no longer existing frame_order.average_position and frame_order.num_int_pts user functions (the first was deleted, the second is now called frame_order.sobol_setup). Removed: website/manual/frame_order_average_position.html website/manual/frame_order_num_int_pts.html Removed: website/manual/frame_order_average_position.html URL: http://svn.gna.org/viewcvs/relax/website/manual/frame_order_average_position.html?rev=28042&view=auto ============================================================================== --- website/manual/frame_order_average_position.html (original) +++ website/manual/frame_order_average_position.html (removed) @@ -1,240 +0,0 @@ -<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.1//EN"> - -<!--Converted with LaTeX2HTML 2008 (1.71) -original version by: Nikos Drakos, CBLU, University of Leeds -* revised and updated by: Marcus Hennecke, Ross Moore, Herb Swan -* with significant contributions from: - Jens Lippmann, Marek Rouchal, Martin Wilck and others --> -<HTML> -<HEAD> -<TITLE>frame_order.average_position</TITLE> -<META NAME="description" CONTENT="frame_order.average_position"> -<META NAME="keywords" CONTENT="relax"> -<META NAME="resource-type" CONTENT="document"> -<META NAME="distribution" CONTENT="global"> - -<META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=utf-8"> - - <!--Google analytics JS--> - <script type="text/javascript"> - - var _gaq = _gaq || []; - _gaq.push(['_setAccount', 'UA-30096326-1']); - _gaq.push(['_setDomainName', 'nmr-relax.com']); - _gaq.push(['_trackPageview']); - - (function() { - var ga = document.createElement('script'); ga.type = 'text/javascript'; ga.async = true; - ga.src = ('https:' == document.location.protocol ? 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This can be one of `<TT>com</TT>' or `<TT>motional</TT>'. - -<P> - <SPAN CLASS="textsf">translation:</SPAN> A flag specifying if the average domain position should be allowed to translate during optimisation. If False, then translation can be disabled. - -<P> - -<H3><A NAME="SECTION081244400000000000000"> -Description</A> -</H3> - -<P> -Prior to optimisation, the mechanics of the average moving domain position must be specified. Having the domain shifted to the correct average position is essential for understanding the dynamics as this information is the major contributor to the RDC and PCS. The motional eigenframe (spherical or Euler<A NAME="32493"></A> angles)<A NAME="32494"></A> and ordering (via order<A NAME="32495"></A> parameters, cone angles<A NAME="32496"></A> or torsion angles)<A NAME="32497"></A> come second, and are therefore severely distorted by an incorrect average domain position. - -<P> -There are two pieces of information affecting this average position - a rotation<A NAME="32498"></A> and translation. For the rotation,<A NAME="32499"></A> a pivot point is required. Note that this pivot is not related to the pivot of the motions. However if you believe that your starting structure lies within the uniform distribution of positions of the domain motions, then the two pivots can be linked by setting the average position pivot to the motional pivot. The default however is to set the pivot to the centre of mass (CoM) of the moving domain. - -<P> -The second option allows the average domain position to translate during optimisation. By default, only a rotation<A NAME="32500"></A> of the initial structure of the domain is rotated to the average position. But if the rotation<A NAME="32501"></A> is not sufficient to shift the domain to the average position, then a translation will be required. This option will be ignored if no PDC data is present, as RDCs do not contain information about the translation of the domain. - -<P> - -<H3><A NAME="SECTION081244500000000000000"> -Prompt examples</A> -</H3> - -<P> -To use the centre of mass as the rotational<A NAME="32503"></A> pivot and to allow translation of the average domain position during optimisation, type one of: - -<P> -<PRE>[numbers=none] -relax> frame_order.translate('com', True) -</PRE> - -<P> -<PRE>[numbers=none] -relax> frame_order.translate(translation=True) -</PRE> - -<P> -<PRE>[numbers=none] -relax> frame_order.translate(pivot='com', translation=True) -</PRE> - -<P> -To use the motional pivot as the average domain rotational<A NAME="32510"></A> pivot while disallowing translation of, type one of: - -<P> -<PRE>[numbers=none] -relax> frame_order.translate('motional') -</PRE> - -<P> -<PRE>[numbers=none] -relax> frame_order.translate('motional', False) -</PRE> - -<P> -<PRE>[numbers=none] -relax> frame_order.translate(pivot='motional', translation=False) -</PRE> - -<P> - -<BR> - -<DIV CLASS="navigation"><HR> -<!--Navigation Panel--> -<A NAME="tex2html17086" - HREF="frame_order_num_int_pts.html"> -<IMG WIDTH="48" HEIGHT="48" TITLE="Next" ALIGN="BOTTOM" BORDER="0" ALT="next" SRC="next.png"></A> -<A NAME="tex2html17080" - HREF="The_list_of_functions.html"> -<IMG WIDTH="48" HEIGHT="48" TITLE="Up" ALIGN="BOTTOM" BORDER="0" ALT="up" SRC="up.png"></A> -<A NAME="tex2html17074" - HREF="fix.html"> -<IMG WIDTH="48" HEIGHT="48" TITLE="Previous" ALIGN="BOTTOM" BORDER="0" ALT="previous" SRC="prev.png"></A> -<A NAME="tex2html17082" - HREF="Contents.html"> -<IMG WIDTH="48" HEIGHT="48" TITLE="Contents" ALIGN="BOTTOM" BORDER="0" ALT="contents" SRC="contents.png"></A> -<A NAME="tex2html17084" - HREF="Index.html"> -<IMG WIDTH="48" HEIGHT="48" TITLE="Index" ALIGN="BOTTOM" BORDER="0" ALT="index" SRC="index.png"></A> <A NAME="tex2html1" - HREF="http://download.gna.org/relax/manual/relax.pdf"><IMG - ALIGN="BOTTOM" BORDER="0" SRC="http://www.nmr-relax.com/images/pdf_icon_nav.png" - ALT="pdf_icon_nav.png"></A><A NAME="tex2html2" - HREF="http://www.nmr-relax.com"><IMG - ALIGN="BOTTOM" BORDER="0" SRC="http://www.nmr-relax.com/images/relax_logo_nav.png" - ALT="relax_logo_nav.png"></A> -<BR> -<B> Next:</B> <A NAME="tex2html17087" - HREF="frame_order_num_int_pts.html">frame_order.num_int_pts</A> -<B> Up:</B> <A NAME="tex2html17081" - HREF="The_list_of_functions.html">The list of functions</A> -<B> Previous:</B> <A NAME="tex2html17075" - HREF="fix.html">fix</A> - <B> <A NAME="tex2html17083" - HREF="Contents.html">Contents</A></B> - <B> <A NAME="tex2html17085" - HREF="Index.html">Index</A></B> </DIV> -<!--End of Navigation Panel--> -<ADDRESS> -The <a href="http://www.nmr-relax.com">relax</a> <a href="http://www.nmr-relax.com/manual/">user manual</a> (<a href="http://download.gna.org/relax/manual/relax.pdf">PDF</a>), created 2015-09-30. -</ADDRESS> -</BODY> -</HTML> Removed: website/manual/frame_order_num_int_pts.html URL: http://svn.gna.org/viewcvs/relax/website/manual/frame_order_num_int_pts.html?rev=28042&view=auto ============================================================================== --- website/manual/frame_order_num_int_pts.html (original) +++ website/manual/frame_order_num_int_pts.html (removed) @@ -1,155 +0,0 @@ -<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.1//EN"> - -<!--Converted with LaTeX2HTML 2008 (1.71) -original version by: Nikos Drakos, CBLU, University of Leeds -* revised and updated by: Marcus Hennecke, Ross Moore, Herb Swan -* with significant contributions from: - Jens Lippmann, Marek Rouchal, Martin Wilck and others --> -<HTML> -<HEAD> -<TITLE>frame_order.num_int_pts</TITLE> -<META NAME="description" CONTENT="frame_order.num_int_pts"> -<META NAME="keywords" CONTENT="relax"> -<META NAME="resource-type" CONTENT="document"> -<META NAME="distribution" CONTENT="global"> - -<META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=utf-8"> - - <!--Google analytics JS--> - <script type="text/javascript"> - - var _gaq = _gaq || []; - _gaq.push(['_setAccount', 'UA-30096326-1']); - _gaq.push(['_setDomainName', 'nmr-relax.com']); - _gaq.push(['_trackPageview']); - - (function() { - var ga = document.createElement('script'); ga.type = 'text/javascript'; ga.async = true; - ga.src = ('https:' == document.location.protocol ? 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This is used in the quasi-random Sobol' sequence<A NAME="32536"></A> for the numerical integration. - -<P> - -<BR> -<BR><HR> -<ADDRESS> -The <a href="http://www.nmr-relax.com">relax</a> <a href="http://www.nmr-relax.com/manual/">user manual</a> (<a href="http://download.gna.org/relax/manual/relax.pdf">PDF</a>), created 2015-09-30. -</ADDRESS> -</BODY> -</HTML>