SinCris The 'PROTEIN' program system

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W. Steigemann

Rechenzentrum
Max-Planck-Institut für Biochemie
D-82152 Martinsried
Germany

Tel: +49 (89) 8578-2723
Fax: +49 (89) 8578-2479
e-mail: steigema@biochem.mpg.de
The 'PROTEIN' program system is an integrated collection of crystallographic programs designed for the structure analysis of macromolecules. In addition to our own programs, some routines kindly supplied by various authors have been implemented into a common environment to ensure a homogeneous and user-friendly treatment of command input, file handling and memory management. Although the fastidious name 'PROTEIN' has come into use within our institute for the program system, it does not claim to completeness. There are still a number of stand-alone programs in use which are compatible with the system only on the file-handling level.

The most important tasks of the program are:

Much care has been taken to keep the programs in a general form in order to treat all user specified crystallographic space-groups.

The PROTEIN program intentionally does not contain links for:

  1. Refinement. A number of methods are available (e.g. XPLOR, TNT, ...).
  2. Interpretation of structural details from stereo chemical considerations. For this purpose interactive graphics systems (e.g. FRODO, O) are most useful.

The program system over its almost 20 years of existence (Ph.D. Thesis W. Steigemann) has become wide spread within the crystallographic community (some 150 installations worldwide). In fall 1991 (initiated during a short-term stay in J. Deisenhofer's laboratory at the HHMI in Dallas in summer 1989) a major release (V3.1) of the package has been launched with an enhanced file structure (provision for standard deviations of observations, several phase sets, anisotropic scaling etc.) and the additional function of previously separate programs. These include:

Major functional enhancements are planned for the next release V3.2, which is going to appear later in 1994 (partly included already). These include, in particular,

An important issue particularly addressed in the new version has been the portability to different hardware platforms. Following the current trends in computer technology with the availability of high performance cost-effective RISC workstations the program has been ported to Unix. The program is currently distributed for operation on computers and workstations of the manufacturers DEC (VAX/VMS, OpenVMS, OSF/1), SUN, SGI, E&S and CONVEX (Cxxx).

Please send your comments and your suggestions to Yves Epelboin, epelboin@lmcp.jussieu.fr .


Last update Sept. 18/09/1995 Y.E.
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