How can ı work on polymer cif file, ı want to prepare energy framework calculation with CrystalExplorer21.5?

Emine Berrin Poyraz @Emine-Berrin-Poyraz

29 March 2023 1 8K Report

I use crsytal explorer, my cif file open than ı choose all atoms but the energy calculation button is not active, what can I do?

Gulzar Ahmed

if it is single crystal experimental data, then you can calculate energy frame work. if cif file is created by any software then you cant calculate energy framework by crystalexplorer.

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