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 )

 

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

XPMA and ZORTEP are FREE! The use of the programms should be cited:

L. Zsolnai, G. Huttner University of Heidelberg 1994
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
FOR MORE INFORMATION ABOUT THE PROGRAMS CLICK HERE
GROUP OF PROF. DR. G. HUTTNER

Registered users can visit our ftp-site

To obtain a copy of the program, fill out the following formular.

You will be notified automatically on your given e-mail address.

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The author will also notify users of upgrades. Please send your comments and your suggestions to

Dr. LASZLO ZSOLNAI [email protected]