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secondary_structure_vs_time

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secondary_structure_vs_time [2021/11/07 19:52] – [Steps] editsecondary_structure_vs_time [2025/11/06 07:20] (current) – [Python Version] edit
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-**Secondary Structure using DSSP**+**Secondary Structure using STRIDE** 
 + 
 +Update 2025: An alternate version using Python is available at the end of the page - Abhi Senthilkumar
  
 The code is adopted and changed from the following script for secondary structure calculation in VMD. The code is adopted and changed from the following script for secondary structure calculation in VMD.
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-{{:sec.jpg?200|}} +{{:sec.jpg?700|}}
  
 +===== Python Version =====
 +  - Download {{ :secondary_structure.tar.gz |}} and place it within the directory containing your .dyn files.
 +  - Install MDAnalysis, matplotlib, and pandas packages for Python if you haven't already.
 +  - Run ''python secondary_structure.py'' to calculate the secondary structure for each timestep in the simulation.
 +  - Edit ''plot_secondary_structure.py'' to specify the ''ns_per_dyn''
 +  - Run ''python plot_secondary_structure.py'' and the generated graph will be in ''ss.png''
  
- + {{:ss_python.png?400|}}
  
secondary_structure_vs_time.1636332729.txt.gz · Last modified: 2021/11/07 19:52 by edit