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__pycache__

__pycache__

 
 

baseline_sasa

baseline_sasa

 
 

test

test

 
 

.gitignore

.gitignore

 
 

README.md

README.md

 
 

cryptic_site_detection.py

cryptic_site_detection.py

 
 

draw_sasa_distrib.py

draw_sasa_distrib.py

 
 

sasa.py

sasa.py

 
 

sasa2stdSASA.py

sasa2stdSASA.py

 
 

t-stat.py

t-stat.py

 
 

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Cryptic Site Detection via MD simulation

Author: Shinji Iida

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sasa.py

Solvent accessible surface area (SASA) for each residue is calculated along a trajectory.

  • In : pdb, gro, xtc, trr formated trajectory
  • Out : time series of SASA for each residue (.pkl)

draw_sasa_distrib.py

cryptic_site_detection.py

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