How To Install Xmgrace On Windows

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Table ofContents

Installation Instructions
How to Install theCompiled Package
How to Install theSource Package
Trouble Shooting

How to Install the Compiled Package

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How To Install Xmgrace On Windows Re: Installing Grace package. INCLUDING grace package to set up a Windows Workstation to do molecular modeling &. Follow Chembytes on Facebook. For sure can be used under windows via cygwin. In linux, you can install. You can manipulate your xmgrace plot with the. First enable WSL under Windows10 WSL. Normally you now have WSL 1 installed, which is completely OK for Gromacs, however to use for instance xmgrace you need a GUI (graphical user interface). Start the GUI version: xmgrace (return). Select/check the output medium and canvas size in File/Device Setup. If needed, set the graph size ('Viewport' in Plot/Graph Appearance). Load your data with Data/Import/ASCII. 'Load as': 'Single set' for two-column ASCII data, 'Block data' for multi-column ASCII data.

Installing CMake. There are several ways to install CMake, depending on your platform. There are pre-compiled binaries available on the Download page for Windows as MSI packages and ZIP files. One may alternatively download and build CMake from source. The Download page also provides source releases. In order to build CMake from a. Just unzip and launch bin/qtgrace.exe. It uses grace (console version) as a backend. Xmgrace is the wysiwyg version on linux side that also uses grace as a backend. Qtgrace is a native windows application that uses QT in similar fashion than Xmgrace uses X and motif.

For newer versions of xcrysden, the installation of compiledpackage is fairly simple:
  • unpack the xc-version.tar.gzpackage file as:
    tar zxvfxc-version.tar.gz
    or:
    gunzip -c xc-version.tar.gz tar xvf -
  • cd into the so-created directory (i.e., cdxcrysden-version/)

  • and try: ./xcrysden

If this works then add the root directory of just installedxcrysden package (i.e.,/full/path/to/xcrysden-version) to yourPATH.

The use of XCRYSDEN_TOPDIR environmental variableis optional for newer versions. Optionally also theXCRYSDEN_SCRATCH environmental variable can bedefined. It is the place where XCrySDen writes scratch (temporary)files. If this variable is not defined then either the value ofTMPDIR (or TMP) environmental variable(if defined) or the /tmp will be used as theXCrySDen's scratcharea.

BEWARE: If an older XCrySDen version is already installedthen you need to manually unset (or update) theXCRYSDEN_TOPDIR variable definition in your profile!!!

How to Install the Source Package

Software requirements: The compilation of XCrySDen requires C and Fortrancompilers and the following libraries (development version):Tcl/Tk, Togl, OpenGL (i.e. Mesa), BWidget, FFTW3, X11 libraries,and few other system libraries.

To aid at easier compilation, these libraries will beautomatically downloaded from the web if so instructed (see below).Alternatively, these can be download from:

  • Tcl/Tk: http://prdownloads.sourceforge.net/tcl/
  • Mesa: ftp://ftp.freedesktop.org/pub/mesa/
  • Togl: https://sourceforge.net/projects/togl/files/Togl/2.0/
  • FFTW: http://www.fftw.org/download.html
  • BWidget: http://sourceforge.net/projects/tcllib/files/BWidget/

NOTICE: during the compilation the required BWidgetpackage (small size) will be always automatically donwloaded from:http://sourceforge.net/projects/tcllib/files/BWidget/

To compile the source package the file Make.sys shouldbe present in the package root directory. Templates can be find in./system/ subdirectory. Copy an appropriate templatefile:

and edit the Make.sys to suit your needs.

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If you want the compilation to automatically download andcompile the external library sources (Tcl/Tk, Mesa, Togl, FFTW)define COMPILE_ALL = yes (seesystem/Make.sys-semishared for more details).

Now edit the file Make.sys to suit your needs. Then if you areimpatient simply try:

If everything went well and compilation was fully successful,you have a usable xcrysden. Try:

If it works, that's it!

To make xcrysden loadable from a terminal, you can either createan alias (e.g. aliasxcrysden=$XCRYSDEN_TOPDIR/xcrysden), add$XCRYSDEN_TOPDIR to your PATH, or make asymbolic link so that xcrysden will be on your PATH(e.g. ln -s $XCRYSDEN_TOPDIR/xcrysden /opt/bin), where$XCRYSDEN_TOPDIR is the root directory of xcrysden.

Trouble Shooting

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If the installation of sources has failed for some reason thenread the printed error message. Also read carefully theinstructions inside the Make.sys and edit the fileaccording to your needs.

Windows xp sp3 x64 download. The most often cause of failure is that either some header fileswere not found or that there are some missing references, whichmeans that the code will have to be linked against additionallibraries.

How To Install Xmgrace On Windows 10

If the failure appeared in compilation of external library, thentry to compile this library manually, i.e., do cdexternal/src/LIB, where LIB is the corresponding librarydirectory, and read the installation instructions therein.

How To Install Xmgrace On Windows 7

In case of unsolvable problems, first google for help and onlythen ask for help on XCrySDen mailing list (Subscribe Archives).