A graphical editor for molecular dynamics and ab-initio simulations
xmolview will be replaced by xmolvis a complete code update and optimization.
Check the new XMolVis project https://github.com/eetorres/xmolvis
To compile xmolview or xmolvis the following two dependencies are required:
Get the GPL open source MSMVTL template library from: https://github.com/eetorres/msmvtl, and add it to the include directory.
Get the GPL open source FLTK library from: http://www.fltk.org.
On Linux compile with:
On Mac OS X
$ ./configure --enable-macos=yes
$ ./configure --enable-windows=yes
You may need MSYS and mingw-w64 from:
Then build the binary
run the executable
Molecular Explorer is a powerful WYSIWYG OpenGL graphical editor with several unique features to visualize structures for atomistic calculations. We are very close to a stable beta release.
Get the source code from:
Here a short list of features:
Load file from CLI.
Generate DL_FIELD molecular structure with DL_POLY format.
Periodic and non-periodic systems.
Uni/two-dimensional structure scans.
Based on the FLTK library therefore very fast and small.
Automatic fragmentation of non-bonded parts for counterpoise calculations.
Automatic molecular integrity recognition of split structures due periodic boundary conditions.
Read several standard files, such as: xyz, pdb, Gaussian, VASP, DL_POLY.
Convert structure files between the supported formats.
Build periodic systems using images of the unit cell.
Series of structures for Potential Energy Surfaces (PES) calculations.
Fragment definition to manipulate specific parts of the atomic structures.
Display labels for the atomic species (e.g., DL_POLY).
Distance and angle tools.