Package schrodinger :: Package application :: Package desmond :: Package packages :: Package msys :: Module cealign
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Module cealign

Functions [hide private]
 
gen_matches(A, B)
generate all possible ways of matching elements of A with elements of B, using as many members of the smaller set as possible.
 
cealign(ref, target, refsel='name CA', targetsel='name CA')
Use the CEAlign algorithm to find a good alignment of the atoms in target onto the atoms in ref.
Function Details [hide private]

gen_matches(A, B)

 
generate all possible ways of matching elements of A with elements of
B, using as many members of the smaller set as possible.  For example,
if A={a,b} and B={x,y,z}, the possible matches are:
    ax-by ax-bz ay-bx ay-bz az-bx az-by

cealign(ref, target, refsel='name CA', targetsel='name CA')

 

Use the CEAlign algorithm to find a good alignment of the atoms in target onto the atoms in ref.

If ref or target comprise multiple disconnected chains, all possible matches are considered.