
*** Some information on the files in this directory.  In the absence of
*** other information, the file is usually an example simply of the
*** program it's named after or has a descriptive name for a procedure.

1aal.brk: model for MR example
3fo2fcmap: calculating a 3Fo - 2Fc map
MR-with-amore: simple molecular replacement with single model molecule
RF-with-Es: rotation function using Es (template)
act.exam: coordinate analysis
almn.exam: rotation function (obsoleted by amore)
angles.exam
areaimol.exam: accessible area calculation
arpp.exam
aucn.na4, aucn.scl: data for the scala example
aucn.sca: data for scalepack2mtz.exam
auto-amore: used by MR-with-amore
axissearch.exam
baverage.exam
bplot.exam
cad.exam: an example of extending native data to P1 +-h,+-k,+
compar.exam
contact.exam
coordconv.exam: coordinate conversion
crossec.exam: anomalous scattering f', f'' tabulation and graphing
distang.exam
dm.exam: solvent flattening/histogram mapping
dtk?.pdb: data files for polypose
ecalc.exam: calculating Es
extend.exam
f2mtz.exam
fft.exam
fhscal.exam: scaling native and derivative data (with `scaleit' for analysis)
fofcmap: calculating an Fo-Fc map
fractional-orthogonal: using and converting heavy atom fractional coordinates
freerflag.exam: using sfall with free R calculation for refinement
gensym.exam
geomcalc.exam
havecs.exam
hbond.exam
helixang.exam: contacts, angles and separations between helices
hgen.exam
hklplot.exam
icoefl.exam: scale calculated SFs and solvent transfom together
lsqkab.exam
mapcorrelation_procedures: uses `overlapmap'
mapmask.exam
mir_steps: heavy atom refinement and phasing
mlphare.exam: heavy atom refinement and phasing
mtz2various.exam
mtzdump.exam
mtzmnf.exam: adding Missing Number Flags
mtztona4.exam: generates the initial reflection file for these examples
mtzutils.exam
ncsmask.exam
npo.exam: plotting
omit.exam
overlapmap.exam
patterson: using `fft'
pdbset.exam
phase_analysis: using `phistats'
phased_translation_calc
phistats.exam: phase analysis
polarrfn.exam: self rotation function (with plot)
polypose.exam
procheck.exam
protin.exam
protin_substrate
refmac.exam: Maximum Likelihood refinement
reindex.exam
restrain.exam: refinement with `restrain' 
revise.exam
rotmat.exam
rsearch.exam: R factor search (alternative to translation function)
rsps.exam: Patterson search
rwcontents.exam
rwdict.exam
scala.exam: scaling together multiple observations of reflections
scaleit.exam
scalepack2mtz.exam: getting scalepack data into CCP4 
sf_calc: calculate structure factors from coordinates (with free R)
sigmaa.exam: weighted map coefficients from partil structure & phase combination
sites.frc: data file used by coordconv.exam
solomon.exam: density modification using solvent flipping
sortmtz.exam
sortwater.exam
stereo.dat, stereo.exam: reconstruction of coordinates from stereograms
surface-volume-calc: using `surface' and `volume'
surface.exam
tffc_procedure: translation function
toxd-RF-Es: using RF-with-Es
toxd_in.pdb: data file for restrain
toxd_mod_p1.pdb: data file for tffc_procedure, almn.exam
toxd_sul.pdb: data file for protin_substrate
tracer.exam
truncate.exam: determine Fs from intensities following scala
unique-free-R: complete a dataset with unique reflections and add free-R flags
vecref.exam: vector space heavy atom refinement
vectors.exam
waterpeaks
watertidy-3shells
watpeak.exam
wilson.exam


