dylan-jayatilaka / tonto

for Quantum Crystallography
dylan-jayatilaka.net/tonto
GNU General Public License v2.0
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Opening CIF file #25

Closed DeAnte85 closed 4 years ago

DeAnte85 commented 5 years ago

When I generate a CIF from mercury then try to open in CrystalExplorer using Windows 10, I receive an error that says "There is an error in the Tonto stdout file, and no data has been loaded. The stdout file will be shown for inspection."


T O N T O

A free object-based system for computational chemistry

Version: 17.04.29 v. 81192a3 Platform: Windows Build-date: 2017-04-29 17:56

For conditions of use, on-line documentation, and contributor and developer information see :-

https://github.com/dylan-jayatilaka/tonto

Dylan Jayatilaka Daniel Grimwood Peter Spackman


Timer started at 24/07/2019 20:45:00.

Error in TEXTFILE:open_new_file_for_write ... error opening new file C:/Users/DeAnt /Documents/Xray/19046_in_Pbca.cxc

File name = stdin Line number = 17 File buffer = process_CIF_for_CX Cursor ----------------------------^

lomalaspina commented 5 years ago

Hello DeAnts85, it seems like you have many directories with spaces on the name, I don’t remember well, but I think tonto will have a problem with that. Can you re-run with the cif file inside a path with no special characters of spaces?

This is the path I see: C:/Users/DeAnt /OneDrive - University of Cincinnati/Graduate Research/Research Projects (DeAnte)/4-Azido-3-bromo-1,2-naphthoquinonediazide/Xray Crystallography/19004_in_P2_1.cxc

(be aware that there is a space also on the directory “DeAnte “)

One more thing, you are actually trying to open a crystalexplorer project, not a cif?

Cheers

Lorraine