C C C Copyright (C) C C This code is distributed under the terms and conditions of the C CCP4 Program Suite Licence Agreement as a CCP4 Application. C A copy of the CCP4 licence can be obtained by writing to the C CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK. C C mlphare.fh C C Parameters for the mlphare.f program C C MaxNumResoBins for analysis - maximum is 8.. C MaxNumRefCycles for refinement - maximum is 10.. C MaxNumHeavyAtoms No. of heavy atoms - maximum 130 C MaxNumDerivatives No of derivatives allowed - maximum 20 C MaxNumRefVariables No of parameters to refine = C 11*MaxNumHeavyAtoms + 2*MaxNumDerivatives C MaxDataBatches No batches of data sets per derivative; maximum = 8 C MaxSizeMatrix Size of correlation matrix - maximum is 99960 C may be too small !! C MaxRefineFlags flags for refine - 5 for real ( x y z occ b ) - C 5 anom... C NumExtraMtzCols Extra columns of input carried to output file. C INTEGER MaxNumFigMeritBins PARAMETER (MaxNumFigMeritBins=8) INTEGER MaxNumResoBins PARAMETER (MaxNumResoBins=8) INTEGER MaxNumRefCycles PARAMETER (MaxNumRefCycles=30) INTEGER MaxDataBatches PARAMETER (MaxDataBatches=8) INTEGER MaxSymmetry PARAMETER (MaxSymmetry=192) INTEGER MaxNumHeavyAtoms PARAMETER (MaxNumHeavyAtoms=255) INTEGER MaxNumDerivatives PARAMETER (MaxNumDerivatives=20) INTEGER MaxNumRefVariables PARAMETER (MaxNumRefVariables=11*MaxNumHeavyAtoms + +2*MaxNumDerivatives) INTEGER MaxSizeMatrix C PARAMETER (MaxSizeMatrix=200000) PARAMETER (MaxSizeMatrix=68*MaxNumRefVariables) INTEGER MaxRefineFlags PARAMETER (MaxRefineFlags=10) INTEGER MaxMtzCols PARAMETER (MaxMtzCols=200) REAL TWOPI PARAMETER (TWOPI=2.0*3.14159265359) REAL RADDEG PARAMETER (RADDEG=360.0/TWOPI)