A VMD script to calculate side-chain and backbone dihedrals (torsion angles)
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Readme.md
calculate_dihedrals.tcl
dihedral_angles_atom_names.tcl

Readme.md

#Calculates side-chain dihedral (torsion) angles.

##example use:

#load the module (must be in the correct directory)
source calculate_dihedrals.tcl
#load a structure
mol addfile {1IAZ} type {webpdb} 
#Print the first ten backbone and side-chain dihedral angles
print_sidechain_dihedrals A "residue 1 to 10" top 

##VMD --- start of VMD description block

Name:
  calculate dihedrals 1.0
Synopsis:
  calcualtes side-chain dihedral (torsion) angles
Version:
  1.0
Uses VMD version:
  1.8
Ease of use:
  1
Procedures:
 print_sidechain_dihedrals -- calcualtes the dihedral angles
 

Example output:
   1 SER        0 999.0-167.0  59.1
   2 ALA        0 -91.9  -9.4
   3 ASP        0 -87.6  75.2 -59.1 -83.8
   4 VAL        0-125.6  46.4-155.2
   5 ALA        0-102.2 -44.7
   6 GLY        0 -78.6 -61.4
   7 ALA        0 -82.9  62.0
   8 VAL        0 -81.7 154.2 -95.1
   9 ILE        0-112.6 159.0  77.1 176.3
  10 ASP        0 -74.5 162.7 -67.1 110.5
Files: 
 <li> calcualte_dihedrals.tcl -- calcualtes the dihedral angles
 <li> dihedral_angles_atom_names.tcl -- procedures to get atom indices of dihedral angles
Authors: 
 Ajasja Ljubetic (ajasja.ljubetic@gmail.com)

VMD --- end of block