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Generate XDS.INP: Difference between revisions
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This script generates XDS.INP based on a list of frame names supplied on the commandline. | This script generates XDS.INP based on a list of frame names supplied on the commandline. It currently works for MarCCD, ADSC and Pilatus 6M detectors; since this is just a bash script, extension to other detectors is very easy. | ||
== Usage == | |||
Usage is just (don't forget the quotation marks!): | |||
generate_XDS.INP "frms/mydata_1_???.img" | generate_XDS.INP "frms/mydata_1_???.img" | ||
XDS [http://strucbio.biologie.uni-konstanz.de/~dikay/XDS_html_doc/html_doc/xds_parameters.html#NAME_TEMPLATE_OF_DATA_FRAMES= supports] bzip2-ed frames. Thus, when specifying the frame name parameter of the script, you should leave out any .bz2 extension. | |||
== The script == | |||
<pre> | <pre> | ||
#!/bin/bash | #!/bin/bash | ||
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rm -f tmp1 tmp2 | rm -f tmp1 tmp2 | ||
</pre> | </pre> | ||
== System-wide or personal installation == | |||
Ask your system adminstrator to cut-and-paste the script into e.g. /usr/local/bin/generate_XDS.INP, and to make it "executable". | |||
But you may also cut-and-paste the script from this webpage into a file in e.g. your home directory; the filename should be generate_XDS.INP. After creating the file, make it executable - e.g. if it's in your $HOME, use: | |||
chmod +x ~/generate_XDS.INP | |||
After that, you can just run it in the same way as if it were installed in your $PATH: | |||
~/generate_XDS.INP "frms/mydata_1_???.img" | |||
By using your own file, you can easily update to the latest revision, or even change the script, without having to bother the system administrator. | |||
== Generating generate_XDS.INP from this webpage == | |||
Instead of cutting-and-pasting the lines of the script, you (or the system administrator) could just cut-and-paste the following four lines | |||
wget http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/generate_XDS.INP -O - | \ | |||
sed -e s/\ \;/\ /g -e s/\>\;/\>/g -e s/\<\;/\</g -e s/amp\;//g -e s/\"\;/\"/g | \ | |||
awk '/^#/,/rm -f tmp1 tmp2/' > generate_XDS.INP | |||
chmod +x generate_XDS.INP | |||
to copy the script from this website into an executable file generate_XDS.INP in your current directory. | |||