This tutorial presently cover the [http://svn.gna.org/svn/relax/branches/ relax_disp branch].<br>This branch is under development, for testing it out, you need to use the source code. See [[Installation_linux#Checking_out_a_relax_branch]].
This tutorial is based on the analysis of R1rho data, analysed in a master thesis.
set OUT=$PWD/exp_parameters.txt
echo "# DIRN I deltadof2 dpwr2slock ncyc trim ss sfrqapod_rmsd" > $OUT
foreach I (`seq 1 ${#FIDS}`)
set FID=${FIDS[$I]}; set DIRN=`dirname $FID`
set ss=`awk '/^ss /{f=1;next}f{print $2;exit}' procpar`
set sfrq=`awk '/^sfrq /{f=1;next}f{print $2;exit}' procpar`
set apodrmsd=`showApod test.ft2 | grep "REMARK Automated Noise Std Dev in Processed Data:" | awk '{print $9}'`echo "$DIRN $I $deltadof2 $dpwr2slock $ncyc $trim $ss $sfrq$apodrmsd" >> $OUT
cd ..
end
= Analyse in relax =
== making a spin file from SPARKY list Preparation ==relax does not yet has the possibility to read spins from a sparky file. [https://gna.org/support/?3044 See support request].So we create one.<source lang="bash">set ATOMS=`tail -n+4 peaks_list.tab | awk '{print $7}'`set SCRIPT=relax_2_spins.pyforeach I (`seq 1 ${#ATOMS}`)set ATOM=${ATOMS[$I]}; set SPIN=`echo $ATOM | sed -e "s/N-HN//g"`; set RESN=`echo $SPIN | sed -e "s/[0-9]*//g"`; set RESI=`echo $SPIN | sed -e "s/[A-Za-z]//g"`echo $ATOM $SPIN $RESN $RESIecho "spin.create(spin_name='N', spin_num=$I, res_name='$RESN', res_num=$RESI, mol_name=None)" >> $SCRIPTendcat $SCRIPT</source> == Prepare directory for relax run ===