Molekel A free and open source molecular visualization application for your Mac
Download

Molekel Ranking & Summary

Molekel Tags

visualize visualizer visualize molecule molecule molecule visualizer molecule visualization

Molekel Description

A free and open source molecular visualization application for your Mac Molekel is an open source, easy to use and free multi-platform molecular visualization program. Here are some key features of "Molekel": · Read molecular data from different file formats · Display molecules with different styles: Spacefill, Ball and Stick, Ball and Wire, Stick, Backbone (Residues), Ribbon (Residues), Schematic (Residue) · Change atom and bond size · Read atom colors from file · Display dipole moment (for molecular formats containing this information) · Animate atoms using the trajectory and vibration information available in some file formats · Animate molecules read from multi-frame pdb and xyz files · Display arrows to show the speed and direction of motion of each animated atom · Animate molecular surfaces (while exporting amimation) · Perform distance and (dihedral) angle computations · Use a planar probe to visualize scalar fields (e.g. Electrostatic Potential) and display the value of the scalar field at a specific point in 3D space. · Visualize molecular orbital iso-surfaces optionally color-coded with Electrostatic Potential. · Visualize surfaces generated from density matrix optionally color-coded with Electrostatic Potential. · Visualize surfaces from grid data (in Gaussian cube format or read from ADF tape41 files) optionally color-coded with Electrostatic Potential. · Smooth surfaces generated from grid data (Gaussian .cube) with Laplacian smoothing · Use grid data read from .cube files as molecular electrostatic potential to map onto SAS and SES surfaces · Compute Solvent Accessible Surface as iso-surface optionally color-coded with Electrostatic Potential. · Compute and display Solvent Excluded Surface, optionally using M.F. Sanner's MSMS program (highly recommended), get it here · Export molecule to a number of molecular file formats · Export to POV (Experimental, through OpenBabel) · Export to TIFF, PNG, PostScript and PDF · Programmable shaders (GLSL) support · Visualization of radiation spectra (infra-red and Raman) · High-quality multi-pass rendering with anti-aliasing and correct rendering of multi-layered transparent surfaces · Blending of vibrational modes What's New in This Release: · Added support for depth peeling for correct rendering of transparent objects; requires an OpenGL 2.0 card and might not work properly on some systems. Depth peeling parameters affecting rendering speed/quality of transparent objects can be set through the Display->View Properties dialog. · Added plot of infrared and Raman spectra with PostScript and PDF output · Integrated with VTK 5.1 (cvs version since there is no official release yet) · Added support for anti-aliasing, disabled by default; can be enabled through the Display->View Properties dialog. · It is now possible to change transparency and colors of orbital surfaces. · Added support for persistent settings in Electron Density Surface dialog. · Added new x-ray shaders that work properly with VTK 5.1. Fixed bugs: · 392 - Add support for multi-molecule Gamess input · 401 - Cannot delete Connolly surface · 403 - Command line support · 404 - Error reading Molden molecular orbital data · 405 - Transparency not consistent for both orbital colors (dependent on specific card/driver) · 406 - Animation runs after deleting the molecule · 408 - Feature request: start orbital index from zero · 420 - Settings not saved when closing window · 421 - Surface from Grid Data: Elapsed time report wrong · 422 - Cannot save animations with transparent SES

Molekel Related Software