diff --git a/src/modules/xtal/MapFFT.cpp b/src/modules/xtal/MapFFT.cpp index a2eee684..1f41dcc3 100644 --- a/src/modules/xtal/MapFFT.cpp +++ b/src/modules/xtal/MapFFT.cpp @@ -46,7 +46,7 @@ MapFFT::MapFFT() m_nSG = -1; m_bUsePhases = true; - m_grid = 0.33; + m_grid = 1.0/3.0; m_mapr = -1.0; } @@ -65,6 +65,7 @@ void MapFFT::setParams(double cella, double cellb, double cellc, double alpha, m_nSG = nSG; m_grid = grid; m_mapr = mapr; + MB_DPRINTLN("MapFFT> grid=%f, mapr=%f", m_grid, m_mapr); } void MapFFT::setData(int nrefl, int nincr, const float *pbuf, int ind_h, int ind_k, int ind_l, @@ -159,7 +160,7 @@ void MapFFT::setupSymmOp() } delete[] pdum; - MB_DPRINTLN("MTZ> sgname=%s nasym=%d", symname, nsymm); + MB_DPRINTLN("MapFFT> sgname=%s nasym=%d", symname, nsymm); m_nsymm = nsymm; m_symm.resize(m_nsymm); @@ -315,9 +316,10 @@ void MapFFT::checkMapResoln() if (bauto) { // determine from max HKL - m_grid = 0.33; + if (m_grid < 0.0) + m_grid = 1.0 / 3.0; m_mapr = maxg / m_grid; - LOG_DPRINTLN("MTZ> Auto resoln: resoln=%f, grid=%f", m_mapr, m_grid); + LOG_DPRINTLN("MapFFT> Auto resoln: resoln=%f, grid=%f", m_mapr, m_grid); } } diff --git a/uxp_gui/cuemol2/base/content/tools/netpdbopen.js b/uxp_gui/cuemol2/base/content/tools/netpdbopen.js index f04328f7..dde14bc3 100644 --- a/uxp_gui/cuemol2/base/content/tools/netpdbopen.js +++ b/uxp_gui/cuemol2/base/content/tools/netpdbopen.js @@ -386,6 +386,7 @@ Qm2Main.prototype.openMapImpl = function (pdbid, map_url, b2fofc, afuncs) // dlgdata.target[0].reader = reader; dlgdata.center = false; + dlgdata.redraw = true; dlgdata.rendtype = "contour"; dlgdata.rendname = "contour1";