dvanatta

make an empty list called medoids

for cluster i:
  let t be a trajectory containing all of the structures assigned to cluster i
  let D = the full len(t) x len(t) pairwise RMSD distance matrix
  set medoid[i] = argmin( rowsums (D) )

dvanatta

make an empty list called medoids

for cluster i:
  let t be a trajectory containing all of the structures assigned to cluster i
  let D = the full len(t) x len(t) pairwise RMSD distance matrix
  set medoid[i] = argmin( rowsums (D) )

dvanatta

make an empty list called medoids

for cluster i:
  let t be a trajectory containing all of the structures assigned to cluster i
  let D = the full len(t) x len(t) pairwise RMSD distance matrix
  set medoid[i] = argmin( rowsums (D) )


Actual Code:
#!/home/dvanatta/epd-7.3-1-rh5-x86_64/bin/python