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Interactive molecular dynamics simulation using a very simplified interaction model between "structural units," which can be single atoms or larger complexes of atoms
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KeckCAVES/NCK
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======================================================================== README for Nanotech Construction Kit 1.9 Copyright (c) 2004-2013 Oliver Kreylos ======================================================================== Overview ======== The Nanotech Construction Kit is an interactive molecular dynamics simulation using a very simplified interaction model between "structural units," which can be single atoms or larger complexes of atoms.The Nanotech Construction Kit is based on the Vrui software development toolkit (see http://idav.ucdavis.edu/~okreylos/ResDev/Vrui), and runs in a variety of environments ranging from laptop or desktop computers over semi-immersive environments such as Geowalls to fully immersive virtual reality environments such as CAVEs. More information about the Nanotech Construction Kit can be found at http://idav.ucdavis.edu/~okreylos/ResDev/NanoTech Requirements ============ The Nanotech Construction Kit requires Vrui version 3.0 build 001 or newer. Installation Guide ================== It is recommended to download or move the source packages for Vrui and the Nanotech Construction Kit into a src directory underneath the user's home directory. Otherwise, references to ~/src in the following instructions need to be changed. It is also recommended to skip optional steps 4 and 6 in the following instructions. The Nanotech Construction Kit does not need to be installed in order to be used; installation (to a system directory such as /usr/local) is only recommended if the Nanotech Construction Kit will be used from multiple user accounts. 0. Install Vrui from ~/src/Vrui-<version>-<build> (see Vrui README file). 1. Change into ~/src directory and unpack the Nanotech Construction Kit tarball: > cd ~/src > tar xfz <download path>/NCK-<version>.tar.gz - or - > tar xf <download path>/NCK-<version>.tar 2. Change into the Nanotech Construction Kit base directory: > cd NCK-<version> 3. If the Vrui version installed in step 0 was not 3.0, or Vrui's installation directory was changed from the default of ~/Vrui-3.0, adapt the makefile using a text editor. Change the value of VRUI_MAKEDIR close to the beginning of the file as follows: VRUI_MAKEDIR := <Vrui install dir>/share/make Where <Vrui install dir> is the installation directory chosen in step 0. Use $(HOME) to refer to the user's home directory instead of ~. 4. Optional: Adapt makefile if the Nanotech Construction Kit is to be installed in a different location, for example /usr/local. Set INSTALLDIR to the desired target location. The Nanotech Construction Kit will then be installed in <INSTALLDIR>/bin, and its configuration file will be installed in <INSTALLDIR>/etc (where <INSTALLDIR> is the value of INSTALLDIR set in the makefile). 5. Build the Nanotech Construction Kit: > make This creates the NanotechConstructionKit executable in ./bin. 6. Optional: Install the Nanotech Construction Kit in the selected target location. This is only necessary if the INSTALLDIR variable in the makefile was changed. By default, the Nanotech Construction Kit can be run from its base directory. To install: > make install - or, if the target location is a system directory - > sudo make install This will copy all executables into <INSTALLDIR>/bin, and the NCK.cfg configuration file into <INSTALLDIR>/etc/NCK-<version>. 7. Optional: Add directory containing the NanotechConstructionKit executable (in ~/src/NCK-<version>/bin in the default installation, in <INSTALLDIR>/bin otherwise) to the user's search path. This allows running the Nanotech Construction Kit from any directory. Using csh or tcsh: > setenv PATH ${PATH}:~/src/NCK-<version>/bin - or - > setenv PATH ${PATH}:<INSTALLDIR>/bin where <INSTALLDIR> is the target location set in the makefile. Using bash: > export PATH=${PATH}:~/src/NCK-<version>/bin - or - > export PATH=${PATH}:<INSTALLDIR>/bin These lines can also be added to the user's .cshrc or .bashrc files to make the additions persist between logins. Running the Nanotech Construction Kit ===================================== These instructions assume that the Nanotech Construction Kit was installed in its base directory, (see steps 4 and 6 above). 1. On MacOS X: Start X11. The Nanotech Construction Kit requires a running X server, but, if preferred, it can be started from a MacOS X terminal instead of xterm. 2. See Vrui's HTML documentation on Vrui's basic user interface and how to use the Nanotech Construction Kit.
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Interactive molecular dynamics simulation using a very simplified interaction model between "structural units," which can be single atoms or larger complexes of atoms
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