The minimal script for running resolve:
 
 

#!/bin/csh
#
# Here is a 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. That's all you need.
EOD

• Resolve assumes "solve.mtz" as input with FP PHIB FOM HLA HLB HLC HLD
• Output is "resolve.mtz" with FP PHIM FOMM
• You need to tell resolve the solvent content (approximately)

Keywords for running resolve with a different input file:
 
 

hklin other.mtz
LABIN FP=F PHIB=PHI FOM=W HLA=HLA HLB=HLB HLC=HLC HLD=HLD
hklout resolve.mtz
solvent_content 0.4             ! your solvent content goes here.

• The input file is named with HKLIN
• The column names can be specified with the LABIN keyword
• The output file can be specified with the HKLOUT keyword.

Running resolve with a different number of cycles or changing resolution:
 
 

mask_cycles 4                   ! number of cycles of solvent mask generation (default = 5)
minor_cycles 3                  ! cycles of iteration for each mask cycle (default = 10)
solvent_content 0.4             ! your solvent content goes here.mask_cycles 4                   ! number of cycles of solvent mask generation
resolution 20 3.5               ! You can limit the resolution if you want

• You might want fewer mask cycles to save time if the phase change in the last cycles is very small.
• Alternatively you might want more minor cycles for each mask cycle if the phase change in the last minor cycles of each mask cycle is not very small.
• You can limit the resolution, but resolve does not do phase extension yet.  Also resolve does not fill in reflections that are not in the input file.  At the moment this means that if you use SOLVE on SAD data followed by resolve you don't get the centric reflections.

Running resolve with a model for part of the unit cell:
 
 

hklin fcalc.mtz                 ! mtz file with FP PHIB FOM (dummy values of PHIB FOM are ok)
model model.pdb                 ! A pdb file with your model goes here
noprior                         ! Do not use the input phases and FOM for anything 
mask_cycles  1                  ! no point in doing more mask cycles as solvent is well-defined 
solvent_content 0.4             ! Your solvent content goes here

• If you specify a pdb file, then resolve will carry out solvent flattening and histogram matching in the usual way except that it will:
•     Calculate model electron density for the region within 2.5 A of atoms in the PDB file
•     Use this model density as a target for electron density in this region
• This is useful in cases where you have a very good model but it is incomplete in some areas (e.g., you have not put in water molecules, a ligand is missing, etc).  You give resolve an mtz file with FP, PHIB, and FOM (where PHIB and FOM can be dummy values if you want, but FP is MEASURED FP, not FCALC), and a PDB file with your (incomplete) model. Resolve writes out "resolve.mtz" with FP, phases and weights that are adjusted to match the model density while maintaining a flat solvent and matching FP as closely as possible.
• This calculation works very well if the partial model is very accurate.