superimposing molecules

Gregory King GKING at ARSERRC.GOV
Thu May 30 11:21:24 EST 1996


Greetings,

I'm looking for software (or an explanation of an efficient algorithm) that
will superimpose molecule A onto molecule B with a combination of translations
and rotations, and using a minimal rms deviation as the convergence criterion.
There is a known one-to-one correspondence between the relevant atoms in both
molecules (I'll be comparing peptides, and using the backbone atoms as the
relevant ones).

Thanks in advance.

Greg King
gking at arserrc.gov




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