# # ChangeLog for trunk/exports/G2export_PDB.py # # Generated by Trac 1.0.13 # May 26, 2022 11:40:51 AM Sat, 27 Jan 2018 14:49:12 GMT vondreele [3245] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/imports/G2phase.py (modified) * trunk/imports/G2sfact.py (modified) * trunk/imports/G2sfact_CIF.py (modified) fix problem with incommensurate magnetic structures from CIFhklReader ... Thu, 21 Dec 2017 17:50:09 GMT vondreele [3200] * trunk/GSASIIspc.py (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/exports/G2export_PDB.py (modified) fix bugs in various exporters for cif & pdb files. allow for missing ... Mon, 23 Oct 2017 16:39:16 GMT vondreele [3136] * trunk/GSASIIElem.py (modified) * trunk/GSASIIElemGUI.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIfiles.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIindex.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIlog.py (modified) * trunk/GSASIImapvars.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIImpsubs.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIpy3.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/GSASIIsasd.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/ImageCalibrants.py (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/exports/G2export_FIT2D.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/exports/G2export_csv.py (modified) * trunk/exports/G2export_examples.py (modified) * trunk/exports/G2export_image.py (modified) * trunk/exports/G2export_map.py (modified) * trunk/exports/G2export_pwdr.py (modified) * trunk/exports/G2export_shelx.py (modified) * trunk/fsource/SConstruct (modified) * trunk/fsource/pack_f.for (modified) * trunk/gltext.py (modified) * trunk/imports/G2img_1TIF.py (modified) * trunk/imports/G2img_ADSC.py (modified) * trunk/imports/G2img_CBF.py (modified) * trunk/imports/G2img_CheMin.py (modified) * trunk/imports/G2img_EDF.py (modified) * trunk/imports/G2img_GE.py (modified) * trunk/imports/G2img_HDF5.py (modified) * trunk/imports/G2img_MAR.py (modified) * trunk/imports/G2img_Rigaku.py (modified) * trunk/imports/G2img_SumG2.py (modified) * trunk/imports/G2pdf_gr.py (modified) * trunk/imports/G2phase.py (modified) * trunk/imports/G2phase_CIF.py (modified) * trunk/imports/G2phase_GPX.py (modified) * trunk/imports/G2phase_INS.py (modified) * trunk/imports/G2pwd_BrukerRAW.py (modified) * trunk/imports/G2pwd_CIF.py (modified) * trunk/imports/G2pwd_FP.py (modified) * trunk/imports/G2pwd_GPX.py (modified) * trunk/imports/G2pwd_Panalytical.py (modified) * trunk/imports/G2pwd_csv.py (modified) * trunk/imports/G2pwd_fxye.py (modified) * trunk/imports/G2pwd_rigaku.py (modified) * trunk/imports/G2pwd_xye.py (modified) * trunk/imports/G2rfd_xye.py (modified) * trunk/imports/G2sad_xye.py (modified) * trunk/imports/G2sfact.py (modified) * trunk/imports/G2sfact_CIF.py (modified) * trunk/scanCCD.py (modified) make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: ... Fri, 11 Aug 2017 22:34:54 GMT toby [3000] * trunk (modified) * trunk/AllBinaries (copied) * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrlGUI.py (copied) * trunk/GSASIIctrls.py (deleted) * trunk/GSASIIdataGUI.py (copied) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIfiles.py (copied) * trunk/GSASIIgrid.py (deleted) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIlog.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIImpsubs.py (copied) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/basinhopping.py (modified) * trunk/bindist (copied) * trunk/binlinux2.7 (deleted) * trunk/binlinux64-2.7 (deleted) * trunk/binmac2.7 (deleted) * trunk/binmac64-2.7 (deleted) * trunk/binwin2.7 (deleted) * trunk/binwin64-2.7 (deleted) * trunk/config_example.py (modified) * trunk/docs/source/GSASIIGUI.rst (modified) * trunk/docs/source/GSASIIGUIr.rst (modified) * trunk/docs/source/GSASIIscripts.rst (modified) * trunk/docs/source/conf.py (modified) * trunk/docs/source/index.rst (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/exports/G2export_examples.py (modified) * trunk/exports/G2export_map.py (modified) * trunk/gltext.py (modified) * trunk/imports/G2phase_GPX.py (modified) * trunk/testSSymbols.py (modified) make the two frame version the trunk as we hit version 3000 Thu, 04 May 2017 14:14:19 GMT vondreele [2819] * trunk/exports/G2export_CIF.py (modified) * trunk/exports/G2export_FIT2D.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/exports/G2export_csv.py (modified) * trunk/exports/G2export_examples.py (modified) * trunk/exports/G2export_image.py (modified) * trunk/exports/G2export_map.py (modified) * trunk/exports/G2export_pwdr.py (modified) * trunk/exports/G2export_shelx.py (modified) fix printing of nonascii characters (e.g. "umlaut-o") in file names, ... Wed, 23 Apr 2014 22:23:37 GMT toby [1299] * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIsasd.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/ReadMarCCDFrame.py (modified) * trunk/Substances.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/exports/G2export_pwdr.py (modified) * trunk/gltext.py (modified) * trunk/imports/G2sad_xye.py (modified) * trunk/testDeriv.py (modified) Set conf flags consistently for .py files Mon, 24 Mar 2014 22:22:41 GMT toby [1261] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/exports/G2export_csv.py (modified) * trunk/exports/G2export_examples.py (modified) * trunk/exports/G2export_image.py (modified) * trunk/exports/G2export_map.py (modified) * trunk/exports/G2export_pwdr.py (modified) * trunk/exports/G2export_shelx.py (modified) reorg exports to implement directory selection Fri, 25 Oct 2013 19:24:22 GMT toby [1123] * trunk/exports/G2export_CIF.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/exports/G2export_csv.py (modified) * trunk/exports/G2export_examples.py (modified) * trunk/exports/G2export_image.py (modified) * trunk/exports/G2export_map.py (modified) * trunk/exports/G2export_shelx.py (modified) * trunk/imports/G2phase.py (modified) * trunk/imports/G2phase_CIF.py (modified) * trunk/imports/G2phase_GPX.py (modified) * trunk/imports/G2pwd_CIF.py (modified) * trunk/imports/G2pwd_GPX.py (modified) * trunk/imports/G2pwd_fxye.py (modified) * trunk/imports/G2pwd_xye.py (modified) * trunk/imports/G2sfact.py (modified) * trunk/imports/G2sfact_CIF.py (modified) * trunk/sphinxdocs/build/html/GSASII.html (modified) * trunk/sphinxdocs/build/html/GSASIIGUIr.html (modified) * trunk/sphinxdocs/build/html/GSASIImath.html (modified) * trunk/sphinxdocs/build/html/GSASIIplot.html (modified) * trunk/sphinxdocs/build/html/_modules/G2export_CIF.html (added) * trunk/sphinxdocs/build/html/_modules/G2export_PDB.html (added) * trunk/sphinxdocs/build/html/_modules/G2export_csv.html (added) * trunk/sphinxdocs/build/html/_modules/G2export_examples.html (added) * trunk/sphinxdocs/build/html/_modules/G2export_image.html (added) * trunk/sphinxdocs/build/html/_modules/G2export_map.html (added) * trunk/sphinxdocs/build/html/_modules/G2export_shelx.html (added) * trunk/sphinxdocs/build/html/_modules/G2phase.html (added) * trunk/sphinxdocs/build/html/_modules/G2phase_CIF.html (added) * trunk/sphinxdocs/build/html/_modules/G2phase_GPX.html (added) * trunk/sphinxdocs/build/html/_modules/G2pwd_CIF.html (added) * trunk/sphinxdocs/build/html/_modules/G2pwd_GPX.html (added) * trunk/sphinxdocs/build/html/_modules/G2pwd_fxye.html (added) * trunk/sphinxdocs/build/html/_modules/G2pwd_xye.html (added) * trunk/sphinxdocs/build/html/_modules/G2sfact.html (added) * trunk/sphinxdocs/build/html/_modules/G2sfact_CIF.html (added) * trunk/sphinxdocs/build/html/_modules/index.html (modified) * trunk/sphinxdocs/build/html/exports.html (added) * trunk/sphinxdocs/build/html/genindex.html (modified) * trunk/sphinxdocs/build/html/imports.html (added) * trunk/sphinxdocs/build/html/index.html (modified) * trunk/sphinxdocs/build/html/py-modindex.html (modified) * trunk/sphinxdocs/build/html/searchindex.js (modified) * trunk/sphinxdocs/build/latex/GSASIIdoc.pdf (modified) * trunk/sphinxdocs/find_undoc.py (modified) * trunk/sphinxdocs/source/conf.py (modified) * trunk/sphinxdocs/source/exports.rst (added) * trunk/sphinxdocs/source/imports.rst (added) * trunk/sphinxdocs/source/index.rst (modified) add import and export routines to sphinx Fri, 18 Oct 2013 21:00:32 GMT toby [1115] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/exports/G2export_csv.py (added) * trunk/exports/G2export_examples.py (modified) * trunk/exports/G2export_image.py (added) * trunk/exports/G2export_shelx.py (modified) rework exports for new types Sun, 13 Oct 2013 03:47:06 GMT toby [1102] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/exports/G2export_examples.py (moved) * trunk/exports/G2export_shelx.py (added) change exports to always have lists of phases & histograms; new ... Fri, 11 Oct 2013 15:55:06 GMT vondreele [1100] * trunk/GSASIIIO.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/exports/G2export_PDB.py (modified) finish 1st version (workable) of a PDB exporter for macromolecular ... Tue, 08 Oct 2013 19:33:36 GMT vondreele [1090] * trunk/exports/G2export_PDB.py (modified) complete 1st version of export PDB Mon, 07 Oct 2013 21:22:00 GMT vondreele [1089] * trunk/exports/G2export_PDB.py (added) start on PDB exporter