copies of swissmx related tools

This commit is contained in:
Beale John Henry
2025-01-16 13:06:47 +01:00
parent 59a04abbef
commit 87223a5e26
3 changed files with 112 additions and 2 deletions

View File

@@ -87,8 +87,7 @@ def write_crystfel_run( clen, sample_h5_file, clen_geom_file, cell_file, thresho
run_sh = open( cryst_run_file, "w" )
run_sh.write( "#!/bin/sh\n\n" )
run_sh.write( "module purge\n" )
run_sh.write( "module use MX unstable\n" )
run_sh.write( "module load crystfel/0.10.2-rhel8\n" )
run_sh.write( "module load crystfel/0.11.1\n" )
run_sh.write( "indexamajig -i {0} \\\n".format( sample_h5_file ) )
run_sh.write( " --output={0}.stream \\\n".format( clen ) )
run_sh.write( " --geometry={0}\\\n".format( clen_geom_file ) )