Drawing crystal structure software

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SUMMARY

The discussion focuses on software options for visualizing crystal structures from atomic coordinates. Recommended tools include Ovito, AtomEye, Visual Molecular Dynamics (VMD), and Vesta, all of which are free and widely used by research scientists. These applications not only facilitate visualization but also assist in preparing and checking input files for ab initio materials calculations using VASP, CASTEP, and Quantum Espresso.

PREREQUISITES
  • Understanding of atomic coordinates and crystal structures
  • Familiarity with ab initio materials calculations
  • Basic knowledge of software installation and usage
  • Experience with visualization tools in scientific research
NEXT STEPS
  • Explore the features of Ovito for advanced crystal structure visualization
  • Learn how to use Visual Molecular Dynamics (VMD) for molecular simulations
  • Investigate Vesta's capabilities for input file preparation
  • Research the integration of VASP, CASTEP, and Quantum Espresso with visualization tools
USEFUL FOR

Researchers, material scientists, and anyone involved in computational chemistry or solid-state physics who needs to visualize and analyze crystal structures.

chikou24i
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Hi, is there any software that I can use for drawing a crystal structure from atoms coordinates ?
 
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By draw, I think you mean visualization. Ovito or AtomEye should do the trick. They are free software used by research scientists. You can find them through google.
 
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Two free (but good) software I've used before are Visual Molecular Dynamics (VMD) and Vesta. They contain several other useful features for basic simulations, and are very useful for preparing and checking input files for ab initio materials calculations using VASP, CASTEP and Quantum Espresso.
 
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Thanks I'll try them.
 

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