Documentation for mtz2sca converter

Binaries for Mac OS X available.
Courtesy of Yao He and Mark Brooks.

Description

mtz2sca is a small program to convert CCP4 [1] mtz-files containing anomalous data to Scalepack format [2]. Even though this task can also be performed with mtz2various from the CCP4-suite, mtz2sca has the advantage that it neither requires an input script nor a working CCP4 installation (since it was statically linked). In fact, under normal conditions (i.e. default values during the creation of the input mtz-file), it requires the input file name and no other parameter, since the program tries to guess the correct values. If it cannot do so, the available column names are printed to stdout and the user can provide them.

The reference for this program is: T. Grune: "mtz2sca and mtz2hkl: facilitated transition from CCP4 to the SHELX program suite"

Availability/ Download

mtz2sca is available as statically linked binary for a couple of platforms and operating systems as listed on this page.

Documentation

Documentation of mtz2sca can be found here

Acknowledgement

I would like to thank Ralf Grosse-Kunstleve who provided me with an initial script for the cctbx to set up symmetry information for the space groups.

Bugs

Even though we did perform a couple of tests that covered all 230 space groups I dare not say that mtz2sca is a bug-free program. Indeed I do expect errors and problems to arrise as it is released to the wide world. I therefore invite everyone to submit problems or errors by email so that I can fix them.

References


Tim Gruene

Last modified: Fri Sep 27, 2013 02:54PM