Generate XDS.INP: Difference between revisions

m
m (→‎The script: rev 1.06)
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# revision 1.04 . Zhipu Luo 13/08/2021 extract ORGX,ORGY for electron diffraction from SMV header if the wavelength value starts with 0.0  
# revision 1.04 . Zhipu Luo 13/08/2021 extract ORGX,ORGY for electron diffraction from SMV header if the wavelength value starts with 0.0  
# revision 1.05 . KD specialcase extraction of number of images for BNL detectors E-32-0101 and E-18-0104
# revision 1.05 . KD specialcase extraction of number of images for BNL detectors E-32-0101 and E-18-0104
REVISION="1.05 (14-OCT-2021)"
# revision 1.06 . KD fix URLs in terminal output. Comment availability of Apple processor dectris-neggia-Apple-arm64.so .
REVISION="1.06 (15-OCT-2021)"


#                                                                                                             
#                                                                                                             
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     if [ -e /usr/local/lib64/dectris-neggia.so ]; then
     if [ -e /usr/local/lib64/dectris-neggia.so ]; then
       echo LIB=/usr/local/lib64/dectris-neggia.so >> XDS.INP
       echo LIB=/usr/local/lib64/dectris-neggia.so >> XDS.INP
       echo LIB= line was written to XDS.INP
       echo LIB= line was written to XDS.INP . For Apple processors you must modify the name.
     else
     else
       echo !LIB=/usr/local/lib64/dectris-neggia.so >> XDS.INP
       echo !LIB=/usr/local/lib64/dectris-neggia.so >> XDS.INP
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fi
fi
echo XDS.INP is ready for use. The file has only the most important keywords.
echo XDS.INP is ready for use. The file has only the most important keywords.
echo Full documentation, including complete detector templates, is at
echo Full documentation, including complete detector templates, at xds.mr.mpg.de .
echo http://www.mpimf-heidelberg.mpg.de/~kabsch/xds . More documentation in XDSwiki
echo More documentation in strucbio.biologie.uni-konstanz.de/xdswiki/index.php .
echo After running xds, inspect, using XDS-Viewer, at least the beamstop mask in
echo After running xds, inspect at least the agreement of predicted and observed  
echo BKGPIX.cbf, and the agreement of predicted and observed spots in FRAME.cbf!
echo spots in FRAME.cbf!
rm -f tmp1 tmp2
rm -f tmp1 tmp2


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