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[求助]
xcrysden 在cygwin上安装遇到的问题，求高人帮我看一下。
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cygwin安装后，我的package是从http//mirrors.ustc.edu.cn 上下的安装安装完后打开显示 Copying skeleton files. These files are for the users to personalise their cygwin experience. They will never be overwritten nor automatically updated. './.bashrc' -> '/home/zr//.bashrc' './.bash_profile' -> '/home/zr//.bash_profile' './.inputrc' -> '/home/zr//.inputrc' './.profile' -> '/home/zr//.profile' 应该是成功了吧， 感觉是少了libGL1, libGLU1,more这几个包，也不知道影响了没有 然后开始解压，后面步骤如下所示 zr@zr-PC ~ $ cd /home/zr/XCrySDen-1.5.18-bin-shared zr@zr-PC ~/XCrySDen-1.5.18-bin-shared $ ./xcConfigure.sh ======================================================================== * * * * XCRYSDEN's Configuration/Setup Utility * * * * ------------------------------------------------------------------------ XCRYSDEN version: 1.5.18 PLEASE FOLLOW INSTRUCTIONS DURING THE CONFIGURATION PROCEDURE !!! ========================================================================= Press <Enter> to continue ... Please specify XCRYSDEN_SCRATCH directory (default: /home/zr/xcrys_tmp): Updating profile file /home/zr/.bashrc ... OK The following record was inserted into /home/zr/.bashrc: #------------------------------------------------------------------------ # this is for XCRYSDEN 1.5.18; added by XCRYSDEN installation on # 2014年11月16日 14:26:37 #------------------------------------------------------------------------ XCRYSDEN_TOPDIR=/home/zr/XCrySDen-1.5.18-bin-shared XCRYSDEN_SCRATCH=/home/zr/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 <Enter> 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/zr/.xcrysden/custom-definitions ... OK Press <Enter> to continue ... 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 <Enter> 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 <Enter> to continue ... vi .bashrc 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 zr@zr-PC ~/XCrySDen-1.5.18-bin-shared $ xcrysden -bash: xcrysden: command not found zr@zr-PC ~/XCrySDen-1.5.18-bin-shared |
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