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I have been trying to run a script in Mosflm and i get the error:
./mosflm_scrpt_hires50.com: line 16: setenv: command not found
./mosflm_scrpt_hires50.com: line 17: setenv: command not found
etc
The script worked fine on an older version of mosflm (don't know which one) but
doesn't seem to work with my current installation of 6.2.5.
If anyone knows what might be wrong with this script or where I might find a
template for a more modern one I'd be much ablidged.
Patrick
here is the script:
#!/bin/bash
# modify the lines following 'CHANGES' and start this shell from the
# command prompt by typing 'index' followed by a return
#
# after you found your unit cell and space group, please refine yor cell
# and at the end update the 'mosaic', 'beam' and 'distance' parameters
# in this file
#
#
#CHANGE name of data set = IMAGE ROOT
#
set crystal = cd16_AS2_3
#
#
#
setenv HKLOUT ${crystal}.mtz
setenv SPOTOD ${crystal}.spotod
setenv SUMMARY ${crystal}.sum
setenv COORDS ${crystal}.coor
setenv GENFILE ${crystal}.gen
setenv SYMOP /usr/local/xtal/ccp4-6.0/lib/data/symop.lib
/usr/local/xtal/ccp4-6.0/bin; eof-mosflm
TITLE cd16_AS2_3_24feb06
! beam line and detector paramters - NSLS_SN=416)
DIVERGENCE 0.001 0.001
! Polarisation for 22 ID APS (gerhard)
SYNCHROTRON POLARIZATION 0.95
!crystal parameters
!NEWMAT ${crystal}.mat
!SITE SSRL ADSC
!CHANGE symmetry and matrix if you already indexed
!uncomment the next three lines and comment the NEWMAT line above
MATRIX cd16_AS2_4_001.mat
SYMMETRY
!CHANGE location
DIRE ../../3
BEAM 94.99 92.33
BACKSTOP CENTRE 94 91 RADIUS 8.5
MOSAIC 0.760
RESOLUTION 15 1.597
WAVELENGTH 1.0000
DISTANCE 249.093
DISTORTION YSCALE 1.0009 TILT -21 TWIST 25
DETECTOR ADSC
IMAGES ${crystal}001.img
POSTREF usebeam
GAIN 0.25
DISPERSION 0.0002
!PIXEL 0.082
RASTER 17 21 13 5 7
SEPARATION 0.57 0.57 CLOSE
OVERLOAD CUTOFF 65500
PROFILE TOLERANCE 0.010 0.010
PLOT
GO
END
eof-mosflm
