How can I compute energy from a protein PDB file?

  • #1
user366312
Gold Member
89
3
TL;DR Summary
Suppose I have a protein PDB file and want to compute energy using the following formula from the coordinates in the file.

**How can I do that?**
Suppose I have a protein PDB file and want to compute energy using the following formula from the coordinates in that file.

1696244256611.png


How can I do that?

Sometimes people suggest using the `CONECT` field for that purpose. However, some PDB files do not have this field.

Example: 4OSK.pdb (Crystal structure of TAL effector reveals the recognition between asparagine and guanine)
 

Similar threads

  • Quantum Physics
Replies
7
Views
538
  • Programming and Computer Science
Replies
8
Views
903
Replies
14
Views
2K
  • Programming and Computer Science
Replies
16
Views
2K
  • Computing and Technology
Replies
9
Views
9K
  • Classical Physics
Replies
3
Views
699
  • Programming and Computer Science
Replies
4
Views
4K
  • STEM Academic Advising
Replies
4
Views
2K
Replies
6
Views
4K
Back
Top