Drawing crystal structure software

Click For Summary

Discussion Overview

The discussion revolves around software options for drawing or visualizing crystal structures based on atomic coordinates. The focus is on identifying suitable tools for researchers and practitioners in materials science and related fields.

Discussion Character

  • Exploratory, Technical explanation

Main Points Raised

  • One participant inquires about software for drawing crystal structures from atomic coordinates.
  • Another participant suggests Ovito and AtomEye as visualization tools, noting their use by research scientists and availability for free.
  • A different participant mentions Visual Molecular Dynamics (VMD) and Vesta as additional free software options, highlighting their utility for basic simulations and preparation of input files for ab initio materials calculations using VASP, CASTEP, and Quantum Espresso.
  • The original poster expresses gratitude and indicates they will try the suggested software.

Areas of Agreement / Disagreement

Participants generally agree on the availability of multiple software options for visualizing crystal structures, but no consensus exists on a single preferred tool.

chikou24i
Messages
44
Reaction score
0
Hi, is there any software that I can use for drawing a crystal structure from atoms coordinates ?
 
Physics news on Phys.org
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.
 
  • Like
Likes   Reactions: chikou24i
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.
 
  • Like
Likes   Reactions: chikou24i
Thanks I'll try them.
 

Similar threads

Undergrad Time rondeau crystals, experimental observations
  • · Replies 1 ·
Replies
1
Views
3K
Graduate Crystal structures and number of bonds of each atom
  • · Replies 8 ·
Replies
8
Views
2K
Graduate How to practically perform first-principles calculations on Li-ion batteries?
  • · Replies 0 ·
Replies
0
Views
2K
Graduate Bending Salt Crystals (xray monochromator)
  • · Replies 0 ·
Replies
0
Views
2K
High School Understanding Crystal Structures: Energy Considerations
  • · Replies 1 ·
Replies
1
Views
2K
Graduate What is the best free software for analyzing powder XRD data?
  • · Replies 1 ·
Replies
1
Views
2K
Undergrad Predicting new crystal structures
  • · Replies 1 ·
Replies
1
Views
2K
Graduate What is the Wigner–Seitz cell of diamond?
  • · Replies 4 ·
Replies
4
Views
3K
Undergrad Why are crystals more conductive then amorphous structures?
  • · Replies 13 ·
Replies
13
Views
4K
Undergrad Space Group Duplicates: Is it Possible for Monoatomic Crystals?
  • · Replies 5 ·
Replies
5
Views
2K