3d Structure Fit


Palaios, G.A. and Hamodrakas, S.J.
Department of Cell Biology and Biophysics,
Faculty of Biology, University of Athens
Panepistimiopolis, Athens 15701, Greece
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Summary

LSQR was developed to optimise by a least-squares method the fit of a subset of atomic coordinates from one file (assigned to workcd) to the same subset of coordinates of another file (assigned to refrcd).The program can give the statistics of fit (eg rms differences between atom pairs,etc) without any transformation of the working coordinates.

Data Input is made either by retrieving an existing PDB file(from the PDB database) or by uploading a PDB file from the user's computer.

The output may be given in text mode or in graphics/text mode as well deppending on the software installed. To operate the package one will need:

CONTENTS

  1. About the program

  2. Copyright notice

  3. Input description

  4. Output description

  5. Feedback

  6. References

biophysics@biol.uoa.gr