FOX can do this (http://fox.vincefn.net/Manual/Powder) and ObjCryst, which is the engine beyond FOX, has python bindings (look for pyobjcryst).
I am not sure if there is an example of how to use pyobjcryst to do this, or if it is even possible, but it seems as if it would be a good thing to look into. Vincent Favre-Nicolin would know if he is monitoring this list... S On Sun, Jul 18, 2021 at 3:45 PM JR <rohli...@fzu.cz> wrote: > Dear Martin, > > try CCTBX, https://cci.lbl.gov/cctbx_docs/ > > Jan > > Dne 18. 7. 2021 18:03 napsal uživatel "Etter, Martin" < > martin.et...@desy.de>: > > Dear Colleagues, > > I am currently looking for a Python or C/C++ module or function which > generates hkl reflections with the correct systematic absences by giving > the space group number or symbol to it. Is anybody aware, if there are open > source modules exisiting already, before I start to write it by myself? > If not I would appreciate also, if there are hints on optimized code for > this problem, as I would like to write a time-saving algorithm. > > With kind regards from Hamburg, > > Martin Etter > > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > Please do NOT attach files to the whole list <alan.he...@neutronoptics.com> > > Send commands to <lists...@ill.fr> eg: HELP as the subject with no body > text > The Rietveld_L list archive is on > http://www.mail-archive.com/rietveld_l@ill.fr/ > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > > > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > Please do NOT attach files to the whole list <alan.he...@neutronoptics.com > > > Send commands to <lists...@ill.fr> eg: HELP as the subject with no body > text > The Rietveld_L list archive is on > http://www.mail-archive.com/rietveld_l@ill.fr/ > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > > -- Simon Billinge Professor, Columbia University Physicist, Brookhaven National Laboratory
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please do NOT attach files to the whole list <alan.he...@neutronoptics.com> Send commands to <lists...@ill.fr> eg: HELP as the subject with no body text The Rietveld_L list archive is on http://www.mail-archive.com/rietveld_l@ill.fr/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
