I have choosen three different dihedral angle coordinates for finding the conformational stability of a molecule. When i try to view gaussian grid plot, it shows the plot like a 2D plot (angle is in x-axis and energy is in y-axis). So for three dihedral angle coordinates, we need 4D plot for finding the exact point. Is there any option to plot 4D plot in gauss View. if not so, please suggest me softwares and procedure to draw 4D plot.
Thank you in advance
by
karthick
One way would be to make a 3D plot of the three angles and then put the 4th quantity (energy) as a colour scale. Most programs for visualizing statistical/mathematical data, like Matlab (commercial), Mathematica (commercial), R (free) and gnuplot (free) can handle it: see e.g. http://gnuplot.sourceforge.net/demo_4.3/4D-data.html
Dear Karthick,
you can first make a 3D plot of your angle as suggested by Bartosz Trzaskowski, and then you can add 4 axis(energy ) in matlab
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