The package contains the necessary programs to calculate the average reciprocal unit cell from diffraction data. The average reciprocal unit cell can be visualized as an electron density map and used to verify the lattice, compare resolution bins, examine the spot shape and other systematic features.

The package consists of a c++ program (lattice_calc), the source code and several associated shell- and perl-scripts to prepare input files, electron density maps and script files for PyMOL.

The associated shell and perl-scripts can be freely modified or extended to fit individual users need. If modifications are judged to be of benefit to a wider community please forward the necessary information to the author.

Version 1.0

This is the first release so comments, bug reports etc are most welcome. I want to add additional detectors but a diffraction image is needed from a given detector along with the experimental information that was used to process it.

To get the software:

Get started:

Unpack the tar-ball with the following command: tar -xvf lattice.tar

This produces the directory lattice-src in which the README file describes the installation and how to get started.

Supported detectors: APS3000 (Q315 with 9 ccd chips), QUANTUM4 (with 4 ccd chips), RAXIS-IV and RAXIS-IV++.

Any comments on this software? Please email Carsten Ryttersgaard

Copyright UCLA January 2004