Programs for Protein Crystallography

- Protein crystallography

Main steps:

- Protein purification
- Crystallisation

Special:

   - Programs for crystallography
       - ADSC-software
       - HKL package
       - HKL2000 package
       - HKL2MAP
       - Pocket
   - X-ray detectors

Basic tutorials:

   - Chemistry
   - Protein
   - Peptide
   - Amino Acids

Xtal community:

- CCP4BB

It is impossible to imagine modern X-ray Protein Crystallography without wide set of program tools for almost all X-ray data manipulations. For standard studies you do not need to write your own programs, it is much easier and faster to look through manuals and find what is more suitable for required calculations.

Programs for protein crystallography written by different group of scientist are different in the strategy of they usage. Some of them have a very smart GUI-interface and make life much easier in simple cases, but carefully hide some important parameters make them almost unchangeable. Other programs require writing a very long command files with using of special language for this. Some programs are exist as a single command file to run, when others contains a waste number of small executable files for all cases.

Here we've try to make a complete list of all known programs for Protein Crystallography, but if you know some useful programs which is not in the list - please send us a message about this and we will be very happy to improve our list.

Data collection

ADSC-software - Developed by ADSC as CCD control software. Distributed with any Quantum CCD detectors.

Data processing and reduction

HKL-package - Designed and developed by Dr. Wladek Minor and Dr. Zbyszek Otwinowski for single crystal X-ray diffraction data processing.

Denzo
XDisplayF (xdisp)
Scalepack

HKL2000-package - Designed and developed by Dr. Wladek Minor and Dr. Zbyszek Otwinowski for single crystal X-ray diffraction data processing. This program suite can be considered as a further development of HKL-package.

Denzo
XDisplayF (xdisp)
Scalepack
Strat
Cdir_T
HKLINT

Structure solution

SHELX

HKL2MAP

Protein analysis

POCKET - program for drawing active site of an enzyme.