sf-mx/crystfel_tools
0
1
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

removed mtz make function

Browse Source
This commit is contained in:
Beale John Henry
2023-11-03 10:18:59 +01:00
parent e37f082597
commit c1b8d83e46
1 changed files with 0 additions and 11 deletions
Download Patch File Download Diff File Expand all files Collapse all files

11
reduction_tools/partialator.py
View File

@@ -243,17 +243,6 @@ def get_mean_cell( stream ):
return mean_a, mean_b, mean_c, mean_alpha, mean_beta, mean_gamma return mean_a, mean_b, mean_c, mean_alpha, mean_beta, mean_gamma
def make_mtz( hkl, mtz ):
# write file
mtz_sh = open( mtz_run_file, "w" )
mtz_sh.write( "#!/bin/sh\n\n" )
mtz_sh.write( "module purge\n" )
mtz_sh.write( "module load ccp4/8.0\n" )
mtz_sh.write( "f2mtz HKLIN {0} HKLOUT {1}\n",format( hkl, mtz ) )
mtz_sh.write( "TITLE Reflections from " )
mtz_sh.close()
def main( cwd, name, stream, pointgroup, model, iterations, cell, shells, part_h_res, adu ): def main( cwd, name, stream, pointgroup, model, iterations, cell, shells, part_h_res, adu ):
print( "begin job" ) print( "begin job" )