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Quick Start: How to run resolve right after SOLVE


 
 

It is really easy to run resolve right after SOLVE. Just go to the directory where you ran SOLVE and type (or put in a command file):


#!/bin/csh
#
# Here is a very minimal script to run resolve:
#
# Set CCP4 variables for symmetry information and
# for file handling:
#
setenv SYMOP /usr/local/ccp4/lib/data/symop.lib
setenv CCP4_OPEN UNKNOWN
#
# Now run resolve:
#
resolve<<EOD
solvent_content 0.4             ! your solvent content goes here.
EOD
#
# Now "resolve.mtz" has the output amplitudes, phases,
# and figure of merit in columns labelled: FP PHIM FOMM
#


That's it! (Sure, there are a few other keywords, but usually you don't need them.) (More sample scripts are available too.)