Author: bugman Date: Mon Nov 4 11:20:26 2013 New Revision: 21372 URL: http://svn.gna.org/viewcvs/relax?rev=21372&view=rev Log: Added the chemex software to the dispersion chapter of the user manual. Modified: branches/relax_disp/docs/latex/dispersion.tex branches/relax_disp/docs/latex/dispersion_software.tex Modified: branches/relax_disp/docs/latex/dispersion.tex URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/docs/latex/dispersion.tex?rev=21372&r1=21371&r2=21372&view=diff ============================================================================== --- branches/relax_disp/docs/latex/dispersion.tex (original) +++ branches/relax_disp/docs/latex/dispersion.tex Mon Nov 4 11:20:26 2013 @@ -1336,6 +1336,7 @@ \item[GUARDD] Ian Kleckner's dispersion software at \url{http://code.google.com/p/guardd/}. The reference is \citet{KlecknerFoster12}. \item[ShereKhan] See the web server at \url{http://sherekhan.bionmr.org/}. The reference is \citet{Mazur13}. \item[GLOVE] Peter Wright's dispersion software at \url{http://www.scripps.edu/wright/}. The reference is \citet{Sugase13}. +\item[chemex] Guillaume Bouvignies' dispersion software which can be found at \url{http://code.google.com/p/chemex/}. \end{description} There is currently support in relax for generating the input files for CPMGFit, CATIA, NESSY, and ShereKhan and for running CPMGFit and CATIA from within relax. @@ -1345,5 +1346,4 @@ Please see the websites of the respective software for an up to date list of features. If you do find deficiencies in this table, it would be appreciated if you could communicate these on the relax users mailing list at ``relax-users at gna.org''\index{mailing list!relax-users}. -\clearpage \input{dispersion_software} Modified: branches/relax_disp/docs/latex/dispersion_software.tex URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/docs/latex/dispersion_software.tex?rev=21372&r1=21371&r2=21372&view=diff ============================================================================== --- branches/relax_disp/docs/latex/dispersion_software.tex (original) +++ branches/relax_disp/docs/latex/dispersion_software.tex Mon Nov 4 11:20:26 2013 @@ -5,7 +5,7 @@ \setlength\LTcapwidth{\textwidth} \setlength\LTleft{0pt} \setlength\LTright{0pt} -\begin{longtable}{l@{\extracolsep{\fill}}cccccccc} +\begin{longtable}{l@{\extracolsep{\fill}}ccccccccc} % Caption. \caption[Dispersion software comparison.]{Comparison of the features for the different dispersion software.} @@ -15,7 +15,7 @@ \\ \toprule \vspace{25pt} \\ - & \begin{rotate}{45}CPMGFit\end{rotate} & \begin{rotate}{45}cpmg\_fit\end{rotate} & \begin{rotate}{45}CATIA\end{rotate} & \begin{rotate}{45}NESSY\end{rotate} & \begin{rotate}{45}GUARDD\end{rotate} & \begin{rotate}{45}ShereKhan\end{rotate} & \begin{rotate}{45}GLOVE\end{rotate} & \begin{rotate}{45}relax\end{rotate} \hspace{5pt} \\ + & \begin{rotate}{45}CPMGFit\end{rotate} & \begin{rotate}{45}cpmg\_fit\end{rotate} & \begin{rotate}{45}CATIA\end{rotate} & \begin{rotate}{45}NESSY\end{rotate} & \begin{rotate}{45}GUARDD\end{rotate} & \begin{rotate}{45}ShereKhan\end{rotate} & \begin{rotate}{45}GLOVE\end{rotate} & \begin{rotate}{45}chemex\end{rotate} & \begin{rotate}{45}relax\end{rotate} \hspace{5pt} \\ % & CPMGFit & CATIA & NESSY & GUARDD & ShereKhan & GLOVE & relax \\ \midrule \endhead @@ -27,7 +27,7 @@ % Label. \label{table: dispersion software} -%est row & \yes & \yes & \yes & \yes & \yes & \yes & \yes \\ +%est row & \yes & \yes & \yes & \yes & \yes & \yes & \yes & \yes & \yes \\ % The models. \vspace{-5pt} \\ @@ -36,53 +36,54 @@ \vspace{-5pt} \\ Base models \\ \cmidrule(lr){1-1} -$\Rtwoeff/\Ronerhoprime$ & \no & \no & \no & \yes & \yes & \yes & \yes & \yes \\ -No Rex & \no & \yes & \no & \yes & \no & \no & \yes & \yes \\ +$\Rtwoeff/\Ronerhoprime$ & \no & \no & \no & \yes & \yes & \yes & \yes & \no & \yes \\ +No Rex & \no & \yes & \no & \yes & \no & \no & \yes & \no & \yes \\ \vspace{-5pt} \\ Single quantum (SQ) CPMG-type \\ \cmidrule(lr){1-1} -LM63 & \yes & \no & \no & \yes & \no & \yes & \yes & \yes \\ -LM63 3-site & \yes & \no & \no & \yes & \no & \no & \no & \yes \\ -CR72 & \yes & \yes & \no & \yes & \no & \yes & \yes & \yes \\ -IT99 & \yes & \no & \no & \no & \no & \no & \yes & \yes \\ -TSMFK01 & \no & \no & \no & \no & \no & \no & \no & \yes \\ -NS 2-site & \no & \yes & \yes & \no & \no & \yes & \no & \yes \\ +LM63 & \yes & \no & \no & \yes & \no & \yes & \yes & \no & \yes \\ +LM63 3-site & \yes & \no & \no & \yes & \no & \no & \no & \no & \yes \\ +CR72 & \yes & \yes & \no & \yes & \no & \yes & \yes & \no & \yes \\ +IT99 & \yes & \no & \no & \no & \no & \no & \yes & \no & \yes \\ +TSMFK01 & \no & \no & \no & \no & \no & \no & \no & \no & \yes \\ +NS 2-site & \no & \yes & \yes & \no & \no & \yes & \no & \no & \yes \\ \vspace{-5pt} \\ Multiple quantum (MQ) CPMG-type \\ \cmidrule(lr){1-1} -MQ CR72 & \no & \yes & \no & \no & \yes & \no & \yes & \yes \\ +MQ CR72 & \no & \yes & \no & \no & \yes & \no & \yes & \no & \yes \\ \vspace{-5pt} \\ MMQ (SQ, ZQ, DQ, \& MQ) CPMG-type \\ \cmidrule(lr){1-1} -NS 2-site & \no & \yes & \no & \no & \no & \no & \no & \yes \\ -NS 3-site (linear) & \no & \yes & \no & \no & \no & \no & \no & \no \\ -NS 3-site (branched) & \no & \yes & \no & \no & \no & \no & \no & \no \\ +NS 2-site & \no & \yes & \no & \no & \no & \no & \no & \no & \yes \\ +NS 3-site (linear) & \no & \yes & \no & \no & \no & \no & \no & \no & \no \\ +NS 3-site (branched) & \no & \yes & \no & \no & \no & \no & \no & \no & \no \\ \vspace{-5pt} \\ $\Ronerho$-type \\ \cmidrule(lr){1-1} -M61 & \no & \no & \no & \no & \no & \no & \no & \yes \\ -DPL94 & \no & \no & \no & \no & \no & \no & \no & \yes \\ -TP02 & \no & \yes & \no & \no & \no & \no & \no & \yes \\ -NS 2-site & \no & \yes & \no & \no & \no & \no & \no & \yes \\ -NS 3-site (linear) & \no & \yes & \no & \no & \no & \no & \no & \no \\ -NS 3-site (branched) & \no & \yes & \no & \no & \no & \no & \no & \no \\ +M61 & \no & \no & \no & \no & \no & \no & \no & \no & \yes \\ +DPL94 & \no & \no & \no & \no & \no & \no & \no & \no & \yes \\ +TP02 & \no & \yes & \no & \no & \no & \no & \no & \no & \yes \\ +NS 2-site & \no & \yes & \no & \no & \no & \no & \no & \no & \yes \\ +NS 3-site (linear) & \no & \yes & \no & \no & \no & \no & \no & \no & \no \\ +NS 3-site (branched) & \no & \yes & \no & \no & \no & \no & \no & \no & \no \\ \midrule \vspace{-5pt} \\ \textbf{General features} \\ \cmidrule(lr){1-1} -Graphical user interface (GUI) & \no & \no & \no & \yes & \yes & \no & \no & \yes \\ -Web user interface (Web UI) & \no & \no & \no & \no & \no & \yes & \no & \no \\ -Scripting user interface (Script UI) & \no & \no & \yes & \no & \no & \yes & \yes & \yes \\ -Parallelisation via MPI for running on clusters & \no & \no & \no & \no & \no & \no & \no & \yes \\ -Off-resonance effects (CPMG-type data) & \no & \no & \yes & \no & \no & \no & \no & \no \\ -Off-resonance effects ($\Ronerho$-type data) & \no & \yes & \no & \no & \no & \no & \no & \yes \\ -Van't Hoff analysis & \no & \no & \no & \yes & \no & \no & \no & \no \\ -ZZ exchange & \no & \no & \no & \no & \no & \no & \no & \no \\ -HD exchange & \no & \no & \no & \no & \no & \no & \no & \no \\ +Graphical user interface (GUI) & \no & \no & \no & \yes & \yes & \no & \no & \no & \yes \\ +Web user interface (Web UI) & \no & \no & \no & \no & \no & \yes & \no & \no & \no \\ +Scripting user interface (Script UI) & \no & \no & \yes & \no & \no & \yes & \yes & \no & \yes \\ +Parallelisation via MPI for running on clusters & \no & \no & \no & \no & \no & \no & \no & \no & \yes \\ +Off-resonance effects (CPMG-type data) & \no & \no & \yes & \no & \no & \no & \no & \no & \no \\ +Off-resonance effects ($\Ronerho$-type data) & \no & \yes & \no & \no & \no & \no & \no & \no & \yes \\ +Support for CEST-type data & \no & \no & \no & \no & \no & \no & \no & \yes & \no \\ +Van't Hoff analysis & \no & \no & \no & \yes & \no & \no & \no & \no & \no \\ +ZZ exchange & \no & \no & \no & \no & \no & \no & \no & \no & \no \\ +HD exchange & \no & \no & \no & \no & \no & \no & \no & \no & \no \\ \end{longtable} \end{small} \end{center}