QuantumATK Forum
Welcome,
Guest
. Please
login
or
register
.
Did you miss your
activation email
?
1 Hour
1 Day
1 Week
1 Month
Forever
Login with username, password and session length
News:
QuantumATK W-2024.09 version released on Sep 9, 2024
Home
Help
Search
Login
Register
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
how to check bond length
« previous
next »
Print
Pages: [
1
]
Go Down
Author
Topic: how to check bond length (Read 2953 times)
0 Members and 1 Guest are viewing this topic.
jestinjohny
New QuantumATK user
Posts: 1
Country:
Reputation: 0
how to check bond length
«
on:
March 28, 2023, 16:19 »
I'm quite new to using quantum wise and im trying to see if you check bond lengths. I'm using a diamond structure with oxygen to attached to each of carbon atoms on the surface and i'm trying to see how the carbon bonds changes in length after the oxygen termination. Ive ran the UFF clean up feature which i assume roughly optimises the structure, and i can see the changes in bond length visually by selecting each bond.
For a more accurate structure i ran geometry optimisation however the file comes in a python file but is there a way to check the bond lengths visually after the optimisation (like you can in builder mode)?
Logged
Anders Blom
QuantumATK Staff
Supreme QuantumATK Wizard
Posts: 5575
Country:
Reputation: 96
Re: how to check bond length
«
Reply #1 on:
March 28, 2023, 18:54 »
After the optimization you can again bring the structure into the Builder, or Viewer, and see each bond length. Just drag and drop the optimized structure from the Data view (or Lab Floor in older versions) onto the Builder or Viewer icon.
Logged
Print
Pages: [
1
]
Go Up
« previous
next »
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
how to check bond length