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bipla...@gmail.com
Sep 27, 2005, 5:11:59 PM9/27/05
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Hi
I am interested to calculate centroids (i.e the 3D coordinates of
centroids) of aromatic side chains of aromatic amino acids in a protein
with know 3D structure. I know how to calculate 3D coordinates of the
centroid of a hexagon. I hope I can use that to calculate the centroid
of a benzene ring. Can I use the same principle for calculating the
centroid of the aromatic side chain of an amino acid? What will be the
effect of the substitution of the benzene ring (like OH-gr on
Tyrosine)?
Hope to find some pointer on it,
Thanks in advance.
Biplab
I am interested to calculate centroids (i.e the 3D coordinates of
centroids) of aromatic side chains of aromatic amino acids in a protein
with know 3D structure. I know how to calculate 3D coordinates of the
centroid of a hexagon. I hope I can use that to calculate the centroid
of a benzene ring. Can I use the same principle for calculating the
centroid of the aromatic side chain of an amino acid? What will be the
effect of the substitution of the benzene ring (like OH-gr on
Tyrosine)?
Hope to find some pointer on it,
Thanks in advance.
Biplab
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