How to compare 3d Protein structures?

Michel PETITJEAN ptitjean at ccr.jussieu.fr
Thu Jun 6 08:29:31 EST 1996


References: <31B5913A.41C6 at biochemtech.uni-halle.de>

Ulf Reimer (reimer at biochemtech.uni-halle.de) wrote:
> Dear Netters!
> Is there any program known which allows to compare 3D structure of
> different PDB Files?

I have such a program. It computes a distance between two 3D molecules
or fragments and minimizes it for all rotations and translations.
I am looking for collaborations in this field. If you are interested,
please send me the input files, and I shall return the coordinates
of the superimposed molecules, the optimal rotation and translation,
the similarity index, and optionnally the maximal common 3D substructure
together with the pairwise atomic correspondence between the similar
regions. I can also Email the graphical display stored in a postsript file.

Michel Petitjean,                     Email: petitjean at itodys.jussieu.fr
ITODYS (CNRS, URA34)                         ptitjean at ccr.jussieu.fr




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