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How do I view my *.ps file?
Use Ghostview to view and print the file.
What is a CIF file?
Crystallographic Information File (CIF) is a text file which contains all the experimental information about your crystal structure. Read more (CIF)….
How do I validate my CIF file?
Go to iucr validation site (CheckCIF) and submit your file.
Where do I deposit my CIF file?
CIF file should be deposited with Cambridge Crystallographic Database (Deposit CIF).
How do I create hard copy tables from CIF file?
Use PrintCIF. Download a copy on your pc or use one of the computers in the X-ray lab. Another option is xcif command in shelxtl package.
My Ortep diagram is in ps format, how can I incorporate ortep diagram in word file?
Use any number of available drawing programs (paint shop pro, Coral Draw, Adobe illustrator etc) to read *.ps file and export the file in JPEG format (use highest available resolution). Alternatively use program Gretep2 (available on X-ray lab computers), it will produce thermal ellipsoid plots in JPEG format.
What should I write in experimental detail?
Check some typical write-ups (example1, example2). All the gray shaded areas should to be changed for your experimental values (from your CIF file).
I need cartesian coordinates, help?
Use program Babel. Download from web or use a computer in x-ray lab. Use *.ins or *.res as an input file (shelx input) and ask for pdb format output.
I only have cif file and I need cartesian coordinates?
Use program Cif2sx (To generate SHELXL.ins file from *.CIF) than follow the instruction for question above.
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