Software for Use with Xtal

  • Unix Scripts

    This page contains a variety of Unix scripts for executing Xtal or manipulating Xtal data.

  • Xtal/CIF browser & display

    Several Unix scripts are provided here for viewing CIF data and using Xtal (3.6 or GX) or Rasmol for displaying molecular structure. One of the scripts couples this facility to Netscape for the interactive viewing of CIF data downloaded from a web site.

  • GhostScript

    For Xtal users wanting to print Xtal-generated postscript files (from PLOTX) on NON-postscript printers, check out the options of the freeware graphics viewer and conversion software GhostScript.

  • XFIG

    PLOTX can also produce XFIG graphics files. Using XFIG Xtal graphics dumps can be completely customised and exported into a variety of different formats, including PostScript(TM) and EPS etc.

  • POV-Ray(TM)

    The molecular graphics program PIG now generates a POV-Ray file and attempts to automatically spawn a POV-Ray process, when requested. The .pov file produced can be run through POV-Ray as a standalone process to produce .ppm or .tga images of sufficient resolution for including in publications.

  • Gimp

    This program is not technically used with Xtal, but it is an image manipulation program which is incredibly useful for cropping and adjusting very large POV-Ray molecular graphics plots.

  • Adobe Illustrator

    This program has been found very useful, by some folks, for taking postcript output by the Xtal plotting program PLOTX and converting it to EPS for inclusion in program such as Microsoft(TM) Word

  • RasMol

    At exit from the Xtal molecular graphics program PIG, both a PDB file of the current asymmetric unit and an .xyz file of all viewable atom coordinates are created. Both of these files can be read and displayed by RasMol which can be used as a basis for conversion to several other molecular description formats. The .xyz file in particular is useful for introducing symmetry related atom sites to the largely symmetry-ignorant RasMol.

  • Tcl/Tk

    For version 3.7 of Xtal all graphics requires access to the Tcl/Tk command interpreter and graphics libraries, specifically, a version >= tcltk8.2.

  • Xtal software development tools

    If you were thinking about trying to write additional software for the Xtal System, you may like to use some of these programming tools.