[BioPython] Bio.PDB rotate/translate
Douglas Kojetin
douglas.kojetin at gmail.com
Wed Aug 15 18:30:41 UTC 2007
Hi All,
I would like to rotate a specific H and N vector in my structure
file, so that it points in a different direction, but keep its
location fixed in 3D space. Here is what I've been working with, but
it seems to move the atoms away from their original location. I
grabbed most of this from the Bio.PDB FAQ (the PDF file) and from the
Bio.PDB documentation online. I'm not sure if I should be using
different values for the Vector/rotation line, or in the translation
array, etc.
###
atom1 = structure[model.id][chain.id][residue.id[1]]['H']
atom2 = structure[model.id][chain.id][residue.id[1]]['N']
rotation = Bio.PDB.rotaxis( math.pi/2.0, Bio.PDB.Vector(1,0,0) )
translation = Numeric.array( (1,0,0), 'f' )
atom1.transform(rotation, translation)
atom2.transform(rotation, translation)
###
Thanks in advance for the help,
Doug
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