I am in need of .ins files for my already solved crystal structures however the work folder only has .res, .cif and .hkl files.
I have to develop crystallographic tables and am in need of .ins file also, is there any step or command to generate the .ins file from the .hkl or .res file or can there be a procedure to develop crystalographic tables like hydrogen bond comparison etc without .ins file. Any help please?
you need only to save .res file as .ins file using SHELXL software
I am surprised that whatever you are using wants the .ins file since it is the .res file that has the latest information. But, if you need the .ins file, you could actually just rename the .res file as .ins if that is the only way software recognizes it. And, as Kamoun says above, you could use software (such as Olex2) to read in .res and just save as .ins. Mercury, the free software from CCDC reads either and saves as either.
you can simply open your .res file and save it as .ins file. You will get your .ins file. Its easy
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