*** 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 anisoanl.exam: running anisoanl on 1a2p.pdb areaimol.exam: accessible area calculation 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 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 ncont.exam: test of the MMDB utility program ncsmask.exam npo.exam: plotting omit.exam overlapmap.exam patterson: using `fft' pdbcur.exam: test of the MMDB utility program pdbset.exam phase_analysis: using `phistats' phased_translation_calc phistats.exam: phase analysis polarrfn.exam: self rotation function (with plot) procheck.exam reindex.exam revise.exam rotmat.exam 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 makedict.exam 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