[Watheq@Nasam XCrySDen-1.5.25-bin-semishared]$ dir AUTHORS COPYING NEWS sys_utils util xcrysden.bat Awk COPYRIGHT otherLICENSES Tcl version bin examples README tests xcConfigure ChangeLog external README.cygwin THANKS xcConfigure.sh contrib images scripts usage xcrysden [Watheq@Nasam XCrySDen-1.5.25-bin-semishared]$ ./xcConfigure ======================================================================== * * * * XCRYSDEN's Configuration/Setup Utility * * * * ------------------------------------------------------------------------ XCRYSDEN version: 1.5.25 PLEASE FOLLOW INSTRUCTIONS DURING THE CONFIGURATION PROCEDURE !!! ========================================================================= Press to continue ... Please specify XCRYSDEN_SCRATCH directory (default: /home/Watheq/xcrys_tmp): Updating profile file /home/Watheq/.bashrc ... OK The following record was inserted into /home/Watheq/.bashrc: #------------------------------------------------------------------------ # this is for XCRYSDEN 1.5.25; added by XCRYSDEN installation on # Tue Mar 6 00:02:56 GMT 2012 #------------------------------------------------------------------------ XCRYSDEN_TOPDIR=/home/Watheq/XCrySDen-1.5.25-bin-semishared XCRYSDEN_SCRATCH=/home/Watheq/xcrys_tmp export XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH PATH="$XCRYSDEN_TOPDIR:$PATH:$XCRYSDEN_TOPDIR/scripts:$XCRYSDEN_TOPDIR/util" I am about to create the $HOME/.xcrysden/custom-definitions file, which is XCRYSDEN's customization file. Press to continue ... Answer the following question(s) please: ---------------------------------------- CRYSTAL is an electronic structure program for periodic systems. (http://www.crystal.unito.it/) Do you have a CRYSTAL package ([y]es/[n]o): n Is this correct ([y]es/[n]o): y creating new /home/Watheq/.xcrysden/custom-definitions file ... OK Press to continue ... Would you like to add xcrysden icon to the desktop ([y]es/[n]o): y creating xcrysden dekstop icon via /home/Watheq/Desktop/xcrysden.desktop file ... OK XCRYSDEN uses a few external utility programs. These are the following: 1.) the "Open Babel" program is needed to display molecular structure from Gaussian Z-matrix file. 2.) the ImageMagick's suit of programs is used to print-to-file (PNG/JPG/GIF/ ...), to create animated-GIFs, and to screen dump windows. 3.) the "Mplayer's mencoder" program is used to create AVI/MPEG movies from the animation snapshots. 4.) xcrysden may also use other programs such as gifsicle, xwd, ppmtompeg, .. . Links -- Open BABEL: http://openbabel.org/ IMAGEMAGICK: http://www.imagemagick.org/ MENCODER: http://www.mplayerhq.hu/ Press to continue ... Please report BUGS to Tone.Kokalj@ijs.si. TERMS OF USE: ------------- XCRYSDEN is released under the GNU General Public License. Whenever graphics generated by XCrySDen are used in scientific publications, it shall be greatly appreciated to include an explicit reference. The preferred form is the following: [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003. Code available from http://www.xcrysden.org/. XCRYSDEN tips: - try: xcrysden --help - occasionally clean the xcrysden scratch directory (you can use the "xc_cleanscratch" utility) Press to continue ... FINAL NOTICE: before running xcrysden please load (source) your profile, i.e.: - for bash: source ~/.bashrc - for csh or tcsh: source ~/.cshrc - for sh: . ~/.profile Then type: xcrysden [Watheq@Nasam XCrySDen-1.5.25-bin-semishared]$ source ~/.bashrc [Watheq@Nasam XCrySDen-1.5.25-bin-semishared]$ xcrysden +----------------------------------------------------------------+ |****************************************************************| |* *| |* XCrySDen - (X-Window) CRYstalline Structures and DENsities *| |* = === = === *| |*--------------------------------------------------------------*| |* *| |* Anton Kokalj (Tone.Kokalj@ijs.si) *| |* Jozef Stefan Institute, Ljubljana, Slovenia *| |* *| |* Copyright (c) 1996--2009 by Anton Kokalj *| |* *| |****************************************************************| +----------------------------------------------------------------+ Version: 1.5.25 Please report bugs to: Tone.Kokalj@ijs.si TERMS OF USE: ------------- XCRYSDEN is released under the GNU General Public License. Whenever graphics generated by XCRYSDEN are used in scientific publications, it shall be greatly appreciated to include an explicit reference. The preferred form is the following: [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003. Code available from http://www.xcrysden.org/. TCL_LIBRARY=/home/Watheq/XCrySDen-1.5.25-bin-semishared/external/lib/tcl8.5 XCRYSDEN_TOPDIR=/home/Watheq/XCrySDen-1.5.25-bin-semishared XCRYSDEN_SCRATCH=/home/Watheq/xcrys_tmp /home/Watheq/XCrySDen-1.5.25-bin-semishared/xcrysden: line 224: /home/Watheq/XCrySDen-1.5.25-bin-semishared/bin/xcrys: cannot execute binary file [Watheq@Nasam XCrySDen-1.5.25-bin-semishared]$