From c1b8d83e46a8e019746e997f8d9787e4b2220904 Mon Sep 17 00:00:00 2001 From: Beale John Henry Date: Fri, 3 Nov 2023 10:18:59 +0100 Subject: [PATCH] removed mtz make function --- reduction_tools/partialator.py | 11 ----------- 1 file changed, 11 deletions(-) diff --git a/reduction_tools/partialator.py b/reduction_tools/partialator.py index bd59125..66d5cab 100644 --- a/reduction_tools/partialator.py +++ b/reduction_tools/partialator.py @@ -243,17 +243,6 @@ def get_mean_cell( stream ): 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 ): print( "begin job" )