[xcrysden] How to display a whole molecule in unit cell with good connection?

liyincumt at gmail.com liyincumt at gmail.com
Tue Oct 27 09:19:21 CET 2015


Dear Xcrysden developers,

Thanks for sharing this excellent visualization software for free! 
I am using xcrysden to visualize the input and output files of quantum espresso. I have a problem with visualization of crystals. Due to the presence of periodic boundary condition, some of atoms which are outside of the boundary look like being non-covalently connected. Is it possible to display a whole molecule with good covalent connections in Xcrysden.

Thank you very much!

Best Regards,
Yin



Dr. Yin Li 
Department of Biophysics,Medical School, University of Pecs,
No.12 Szigeti Street, Pecs, H-7624, HUNGARY
Phone: +36-72-535271/36271
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