Difference between revisions of "Molplot.m"

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(→‎Arguments)
Line 10: Line 10:
 
     xyz      - Cartesian coordinates, as Nx3 matrix, in
 
     xyz      - Cartesian coordinates, as Nx3 matrix, in
 
                 Angstroms
 
                 Angstroms
−
 
+
 
     conmatrix - NxN connectivity matrix indicating chemical
 
     conmatrix - NxN connectivity matrix indicating chemical
 
                 bonds that should be drawn as sticks. If an
 
                 bonds that should be drawn as sticks. If an

Revision as of 11:55, 29 December 2018

Plots a stick representation of a molecule from Cartesian coordinates supplied.

Syntax

    molplot(xyz,conmatrix)

Arguments

    xyz       - Cartesian coordinates, as Nx3 matrix, in
                Angstroms

    conmatrix - NxN connectivity matrix indicating chemical
                bonds that should be drawn as sticks. If an
                empty vector is supplied, 1.6 Angstrom cut-
                off distance is used

Outputs

    this function creates a figure

Examples

The figure below is produced by examples/nmr_paramag/s50c_density.m example file. The protein structure is drawn using molplot.m function.

Molplot example.png

See also

plot_1d.m, plot_2d.m, plot_3d.m, volplot.m, mri_2d_plot.m, hfc_display.m, cst_display.m


Version 2.3, authors: Ilya Kuprov