Difference between revisions of "Molplot.m"
(Created page with "Plots a stick representation of a molecule from Cartesian coordinates supplied. Coordinates must be in Angstroms. Syntax: molplot(xyz,conmatrix) Pa...") |
(removed link to deleted function page bloch_sph_plot.m (removed per IK instruction 2026-08-30)) |
||
| (5 intermediate revisions by 2 users not shown) | |||
| Line 1: | Line 1: | ||
| − | Plots a stick representation of a molecule from Cartesian coordinates | + | {{DISPLAYTITLE:molplot.m}} __NOTOC__ |
| − | supplied. | + | Plots a stick representation of a molecule from Cartesian coordinates supplied. |
| − | + | ==Syntax== | |
| − | + | molplot(xyz,conmatrix) | |
| − | + | ==Parameters== | |
| − | + | 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. | ||
| + | |||
| + | [[File: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]], [[apodisation.m]], [[axis_1d.m]], [[bwr_cmap.m]], [[contspacing.m]], [[crop_2d.m]], [[cylgrid.m]], [[fid2ascii.m]], [[ft_axis.m]], [[heterodyne.m]], [[int_2d.m]], [[plot_uf.m]], [[s2json.m]], [[scale_figure.m]], [[slice_2d.m]], [[stack_2d.m]], [[sweep2ticks.m]], [[write_movie.m]], [[xyz2pd.m]], [[zoom_3d.m]], [[Import,_export,_and_visualisation]], [[Kernel_utilities]] | ||
| + | |||
| + | ''Version 2.3, authors: [[Ilya Kuprov]]'' | ||
Latest revision as of 10:10, 30 August 2026
Plots a stick representation of a molecule from Cartesian coordinates supplied.
Syntax
molplot(xyz,conmatrix)
Parameters
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.
See also
plot_1d.m, plot_2d.m, plot_3d.m, volplot.m, mri_2d_plot.m, hfc_display.m, cst_display.m, apodisation.m, axis_1d.m, bwr_cmap.m, contspacing.m, crop_2d.m, cylgrid.m, fid2ascii.m, ft_axis.m, heterodyne.m, int_2d.m, plot_uf.m, s2json.m, scale_figure.m, slice_2d.m, stack_2d.m, sweep2ticks.m, write_movie.m, xyz2pd.m, zoom_3d.m, Import,_export,_and_visualisation, Kernel_utilities
Version 2.3, authors: Ilya Kuprov
