Fiberd v3.0

Introduction

Fiberd provides a collection of optimized Fourier-Bessel transform, syntheses and related routines essential for general fiber diffraction computing. In particular, Fiberd can be used to compute structure factors, electron density and intermediates such as G and g. Angular convolution is built in to allow quick diffraction simulations. For related theories, please refer to W. Cochran, F. H. C. Crick and V. Vand (1952). Acta Cryst, 5, 581-586. A. Klug, F. H. C. Crick and H. W. Wyckoff (1958). Acta Cryst, 11, 199-213. R. Chandrasekaran and G. Stubbs (2012). International Tables for Crystallography, Vol. F, 583-592.

System Requirement

Currently Fiberd runs on Linux and Mac OS X (MS Windows version is available upon request). It requires C++ runtime, and libgomp, the GNU implementation of the OpenMP API. Both are likely already on your system unless you have a rather ancient gcc - in that case try the OpenMP-less version.

Downloads and Installation

Click here to download Fiberd. The tar package contains 5 Fiberd executables, for Linux, Intel Mac with and without OpenMP, and PowerPC Mac without OpenMP. Fiberd runs on the command line. To display calculated diffraction patterns, you can use WCEN. To display electron density, you can use Chimera

Input and output format

PDB: atomic coordinates. www.wwpdb.org/docs.html MRC: 3-D electron density, nearly identical to CCP4. situs.biomachina.org/fmap.pdf SMV: 2-D diffraction image, also known as ADSC. fiberdiffraction.org/software/fmt/smv.html LGG: Gs and gs. fiberdiffraction.org/software/fmt/lgg.html

Documentation

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