Dr. Laszlo Zsolnai

(18.8.47 - 26.4.98)

This site was visited times since 24th of Oktober 1996.

The programs run under:

DOS, MS-WINDOWS, OS/2 WARP(2.1X)

[since August 13, 1997 with 1280x1024 graphics resolution!]

VARIOUS UNIX-SYSTEMS (X-window) as:

SGI-IRIX, LINUX, SUN, HP-Workstation, IBM-RISC

VAX/VMS(A5.5-2) and DEC/ALPHA(V6.2-1H3) (read README in guest/pub please)

XPMA XPMA is a mouse driven menu based graphical program for the manipulation of crystal structures. It reads SHELX93, SHELXL, SHELX76 and SHELXS-OUTPUT FILES. Conversation Programs(for CCDC and for RIETVELD-User) are available too, which allow the use of XPMA to visualize structures. XPMA provides graphical rotation, zooming and movement of structures on the screen and makes it possibble to search and generate symmetry equivalent parts of fragments. It also gives bond lengths, angles and torsion angles. It can make files for SHELX-INPUT, SYBYL-INPUT, orthogonal coordinates and save orientation and thermal parameters for ZORTEP. New atom names can be created, as well as deleting atoms and electron density places and is an easy to use graphics editor after refinement and/or Fourier synthesis. The newest version(Jan 1998) of xpma can generate a Poscript File for different viewing and plotting the molecul-image XPMA can read in a maximum of 1999 atom positions.

ZORTEP It is a mouse driven, menu based graphical ORTEP program. This allows the 'real-time' graphical rotation and manipulation of structures and/or thermal ellipsoids on the screen. It has been rewritten from old ORTEP source code and has been made user-friendly by the inclusion of a mouse-drivable menu interface. Thus there is no longer any need to know how to input the old style ORTEP cards. ZORTEP can also read SHELX format fractional coordinates and XPMA saved files up to 999 atoms with ellipsoids. ZORTEP DOESN'T GENERATE symmetry equivalent parts of fragments! It will be made in XPMA! ZORTEP DOESN'T READ old ORTEP II FILES! ZORTEP OUTPUT FILES: ZORTEP FILE, COLOUR-POSTCRIPT, COLOUR-HPGL printable Files with COURIER or BOLD-FONTS for Atomlabelling (HPGL-FILE can be converted with the external programms like HP2XX to yield PostScript )

XPMA and ZORTEP are FREE!
The use of these programs should be cited as follows:
L. Zsolnai, G. Huttner; University of Heidelberg 1994

The support for XPMA and ZORTEP is discontinued. Only if you have very serious problems, report them to xpma@indi.aci.uni-heidelberg.de. To obtain a copy of the program, go to the ACI homepage and click on the Software link.

Both programms provide a red-green rotatable stereo view on the screen. It may be printed as red-green (xpma, zortep) or shifted black-white picture (zortep).

MAIN XPMA Screen SOLVE YOUR STRUCTURE by renaming electron densities with XPMA XPMA PACKED UNIT CELL of Test Job XPMA STEREOSCOPIC VIEW of Test Job(printable) XPMA BALL AND STICK MODEL of Test Job(printable) ZORTEP ELLIPSOID-VIEW of Test Job ZORTEP PACKED UNIT CELL of Test Job GROUP OF PROF. DR. G. HUTTNER