Tara at 20:57, 1 October 2014

2014-10-01T20:57:49Z

← Older revision		Revision as of 20:57, 1 October 2014
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	#!/bin/csh -f		#!/bin/csh -f

	set ~~runs~~ = 21,22,23,24,25,26,27		set trial1=${1}
			set trial2=${2}
	set ~~datastring~~ = `python -c "print ' '.join(['data=../../~~results~~/~~e157~~/r%04d/~~003~~/integration'%i for i in [${~~runs~~}]])"`		set datadir1 = /reg/d/psdm/cxi/cxi84914/scratch/$USER/results/e239
			set datadir2 = /reg/d/psdm/cxi/cxi84914/scratch/$USER/results/e240
			set runs1 = 27,28,29,31
			set runs2 = 3,4,5,6,7,10,12,14,16,17,18,19,21,24,25,26,27,28,29,30,32,33,34,35,36,37,38,39,40
			set datastring1=`python -c "print' '.join(['data=${datadir1}/r%04d/${trial1}/integration'%i for i in [${runs1}]])"`
			set datastring2=`python -c "print' '.join(['data=${datadir2}/r%04d/${trial2}/integration'%i for i in [${runs2}]])"`
			set tag=last_BT_${trial1}_${trial2}_2.1_

	set tag = "~~2tli~~"
			set tag = "4etc"

	set effective_params = "d_min=2.1 \		set effective_params = "d_min=2.1 \
	output.n_bins=10 \		output.n_bins=10 \
	${~~datastring~~} \		${datastring1} \
	model=~~/reg/neh/home3~~/USERNAME/myrelease/cxi84914/${tag}.pdb \		${datastring2} \
			model=(path to user home)/USERNAME/myrelease/cxi84914/${tag}.pdb \
	backend=FS \		backend=FS \
	pixel_size=0.11 \		pixel_size=0.11 \
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	plot_single_index_histograms=False \		plot_single_index_histograms=False \
	raw_data.sdfac_auto=True \		raw_data.sdfac_auto=True \
	scaling.mtz_file=~~/reg/neh/home3~~/USERNAME/myrelease/cxi84914/${tag}.mtz \		scaling.mtz_file=(path to user home)/USERNAME/myrelease/cxi84914/${tag}.mtz \
	scaling.mtz_column_F=iobs \		scaling.mtz_column_F=iobs \
	scaling.show_plots=False \		scaling.show_plots=False \
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	significance_filter.sigma=0.5 \		significance_filter.sigma=0.5 \
	min_corr=0.1 \		min_corr=0.1 \
	output.prefix=~~thermoanom_~~${tag}"		output.prefix=GdLysozymeanom_${tag}"

	set eff_params2 = `echo $effective_params\|sed -e "s/anomalous=False/anomalous=True/g"\|sed -e "s/anom_/noanom_/g"`		set eff_params2 = `echo $effective_params\|sed -e "s/anomalous=False/anomalous=True/g"\|sed -e "s/anom_/noanom_/g"`

Tara: Created page with "

 #!/bin/csh -f  set runs = 21,22,23,24,25,26,27   set datastring  = `python -c "print ' '.join(['data=../../results/e157/r%04d/003/integration'%i for i in [${runs}]])"`..."

2014-10-01T20:50:39Z

Created page with "<pre> #!/bin/csh -f set runs = 21,22,23,24,25,26,27 set datastring = `python -c "print ' '.join(['data=../../results/e157/r%04d/003/integration'%i for i in [${runs}]])"`..."

New page

<pre>
#!/bin/csh -f

set runs = 21,22,23,24,25,26,27

set datastring = `python -c "print ' '.join(['data=../../results/e157/r%04d/003/integration'%i for i in [${runs}]])"`

set tag = "2tli"

set effective_params = "d_min=2.1 \
output.n_bins=10 \
${datastring} \
model=/reg/neh/home3/USERNAME/myrelease/cxi84914/${tag}.pdb \
backend=FS \
pixel_size=0.11 \
nproc=16 \
merge_anomalous=False \
plot_single_index_histograms=False \
raw_data.sdfac_auto=True \
scaling.mtz_file=/reg/neh/home3/USERNAME/myrelease/cxi84914/${tag}.mtz \
scaling.mtz_column_F=iobs \
scaling.show_plots=False \
scaling.algorithm=mark0 \
scaling.log_cutoff=2. \
scaling.show_plots=True \
scaling.report_ML=True \
postrefinement.enable=False \
set_average_unit_cell=True \
rescale_with_average_cell=False \
significance_filter.sigma=0.5 \
min_corr=0.1 \
output.prefix=thermoanom_${tag}"

set eff_params2 = `echo $effective_params|sed -e "s/anomalous=False/anomalous=True/g"|sed -e "s/anom_/noanom_/g"`

cxi.merge ${effective_params}
cxi.xmerge ${effective_params}

cxi.merge ${eff_params2}
cxi.xmerge ${eff_params2}
</pre>

MergeLysozyme0.csh - Revision history

Tara at 20:57, 1 October 2014

Tara: Created page with "
#!/bin/csh -f set runs = 21,22,23,24,25,26,27 set datastring = `python -c "print ' '.join(['data=../../results/e157/r%04d/003/integration'%i for i in [${runs}]])"`..."