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seto77 / ReciPro

The software ReciPro makes various crystallographic calculations, visualizes a crystal structure, simulates a diffraction pattern and high-resolution TEM image, indexes diffraction spots, plots stereographic projection, and so on.
https://seto77.github.io/ReciPro/
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drag and drop of some cif files from materials project cannot be read #19

Open sandhok opened 1 year ago

sandhok commented 1 year ago

Dear Seto,

I often encounter the issue of Recipro program not responding or reading some cif files when I drag and drop them in the cif read area of the main window.

I typically use cif files from materials project (for example: I see that Recipro can read and open SnS2 trigonal cif but cannot read SnS2 hexagonal cif file, both downloaded from materials project).

I wonder if you may have a solution around this issue.

A kind comment, may be providing the possibility of loading cif files in more conventional way (like open/load cif file), in future versions of the software, might be useful to all.

Thank you for your time! Sandeep

seto77 commented 1 year ago

Sorry, there was a problem loading the CIF file. The problem was that the algorithm did not recognize expressions containing "_" as screw axes. I have fixed the problem and you should use the latest version (4.860). If you find any other CIF files that ReciPro can't read, please let me know.

A kind comment, may be providing the possibility of loading cif files in more conventional way (like open/load cif file)

"File" => "Read crystal from cif/amc file" is already in the menu, is that not enough?

sandhok commented 1 year ago

Dear Seto,

Thank you for your response and for helping me fix the issue. I confirm that with latest version now the issue is fixed.

YES, "Read crystal from cif/amc file" is enough. I apologize for overlooking it. Thank you for pointing me to it.

THANKS AGAIN for CREATING RECIPRO....I FEEL IT WILL SERVE AS AN INVALUBLE TOOL FOR GLOBAL TEM microscopists!!!

Thank you, Sandeep

seto77 commented 1 year ago

I am honored to receive your great compliments. Please let me know if you find any bugs or would like to see improvements.