Note on Availability

My programs are available for Linux machines because that's what I work on.

Mac OS X

I don't have regular access to a Mac OS X machine. I appreciate anyone who compiles one of my programs on Mac OS X and sends the binaries for distribution from this url.

Windows

I have tried to compile my programs on Windows. This works alright for the command line programs, and the major obstacle is the non-standard (POSIX) way of handling options in windows.

For the qt-based GUI of MrTailor I have not managed. Anyway, the same applies as for Mac OS X: I appreciate windows binaries sent to me for distribution through this URL

My Programs

Preparing inhouse X-ray data for XDS

• xitools: Process STOE data with XDS
• sfrmtools: Process BRUKERi data with XDS

Converters to SHELX

A collection of conversion tools from shelx formats to CCP4 formats. The first three programs, mtz2sca, mtz2hkl, and shelx2map, are now part of CCP4.

• mtz2sca: Phasing with shelx c/d/e after data processing with mosflm
• mtz2hkl: refinement with shelxl
• shelx2map: maps for pymol from shelxl refinment
• spots4cellnow: Twin cell determination with cell_now from XDS data
• crossflaghkl: Program for the calculation of the complete R_free (A. T. Brunger, Methods in Enzym. 277, 366-396 (1997)). The beta version of shelxl is required.

Other Programs

• knuspr: Find phosphates and bases in electron density maps.
• mrtailor: Preparation of PDB files for use with ProSmart.

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Tim Gruene

Last modified: Jun 06, 2023 11:44