Running SOLVE/RESOLVE in PHENIX

Author(s)

SOLVE/RESOLVE: Tom Terwilliger

Purpose

SOLVE and RESOLVE can be run directly in the PHENIX environment. This feature is normally only for advanced SOLVE/RESOLVE users who want to access the keywords in SOLVE/RESOLVE directly.

Usage

Running SOLVE/RESOLVE from the command-line or in a script.

You can run solve with the command:

phenix.solve

This command will set the environmental variables CCP4_OPEN, SYMOP, SYMLIB, and SOLVEDIR and will run solve. If you want to run a different size of solve, then you can specify:

phenix.solve --giant

For a bigger version still, choose --huge, for biggest, --extra_huge.

Running resolve or resolve_pattern is similar:

phenix.resolve
phenix.resolve_pattern

Running solve/resolve from a command file is simple. Here is a command file to run resolve:

phenix.resolve<<EOD
hklin solve.mtz
labin FP=FP SIGFP=SIGFP PHIB=PHIB FOM=FOM HLA=HLA HLB=HLB HLC=HLC HLD=HLD
solvent_content 0.43
database 5
EOD

Literature

Additional information

All the solve/resolve keywords are available in the PHENIX versions of solve and resolve. See the full documentation for solve/resolve at http://solve.lanl.gov/ .