topas inc file

Molly

could someone send me the topas.inc file and cif.inc file, please, because i need to use the pdCIFplotter, i read the instructions:https://topas.awh.durham.ac.uk/doku.php?id=out_pdcif, but just didn't know how to download them,

rowlesmr

If you've got Topas, you've already got topas.inc. For cif.inc, you can either copy the contents of the code block on the linked page, or download the supp info from https://journals.iucr.org/j/issues/2022/03/00/yr5087/

MartiMarasi

Hi!
I'm trying to export data from TOPAS7 launch mode, this is the line I wrote (
from tutorials) but when running the refinement it gives me error "{ Out_pdCIF } unknown or misplaced keyword."

I already have the cif.inc file in the TOPAS7 folder, I copied from the link in https://topas.awh.durham.ac.uk/doku.php?id=out_pdcif

thanks

rowlesmr

have you #included the file?

MartiMarasi

rowlesmr
following the instructions, I copied the macro in a cif.inc file (which is saved in the installation TOPAS7 folder). Then, in local.inc section in Visual Studio Code (jEdit is not supported in win11+Topas7), I activated
#include pdf.inc
#include cif.inc
but still giving me that error.
should I do some more steps?