How to output quotation mark to the cif document

yinlin

HI All,

I am currently writing a macro of output_cif which includes the content of the cell and diffraction device. As the all of the contents are more than one word (C15 H3 O3 / Diamond I11), I need to put those words in pair of question marks ("***"). However, Out and Out_String macro will recognise the alone quotation mark as an imcomplete input and the alone single question mark as annotation. I have also tried quotation in escape character form, which also doesn't work.

Have anyone got some idea how to output this character?

PS: the version I got is v5

Best,
Yinlin

rowlesmr

Try the macro

Double_Quote

That should give a single "

yinlin

Thanks for your suggestion. The macro however doesn't work as well. It will generate a quotation mark at that point to the temporary file which transferred to TOPAS, but not to the cif file.

alancoelho

I will do a fix for Version 8. As a work around, I have placed a small program called chstr.exe at the bottom of the web page http://www.topas-academic.net/. You can download this program. It replaces text in a file with new text.

For example to replace a character £ with the character " then use:

chstr FILE £ \"

To surround text with quotes then:

chstr FILE "Some string" "\"Some string\""

You can run chstr from the keyword system_after_save_OUT

From the above you can output a special character in a FILE and then change that special character to a double quote.

Hope this helps.