Write_movie.m - rotation movies for 3D plots. Slice_2d.m – displays slices of 2D spectra. Scale_figure.m - Scales the current figure. S2json.m - writes out JSON files that can be read by MestreNova. Plot_uf.m - 2D ultrafast spectra plotting utility. Plot_3d.m – 3D spectral plotting utility. Plot_2d.m – 2D spectral plotting utility. Plot_1d.m – 1D spectral plotting utility. Mri_2d_plot.m - MRI image plotting with a black-and-white colour map.

Int_2d.m – 2D spectral integration utility. Data export and plottingĪxis_1d.m - axis ticks for plotting 1D spectra.īwr_cmap.m - blue-white-red colour map with white at zero.Ĭrop_2d.m - Crops 2D spectra to user-specified ranges.įid2ascii.m – writes out 1D, 2D and 3D free induction decays generated by Spinach as ASCII files. x2spinach.m Reads SpinXML files and forms Spinach data structures. weblab2nqi.m Converts the Weblab one-cone model parameters into NQI tensors used by Spinach. strychnine.m Returns Spinach input structures for the spin system of strychnine. s2spinach.m Reads SIMPSON spin system specification and converts it into Spinach format. read_bmrb.m Reads BMRB data for proteins. read_pdb_pro.m Reads PDB data for proteins. read_pdb_nuc.m Reads PDB data for nucleic acids. read_jeol_phase_cycle.m Parses JEOL phase cycle specification. protein.m Protein data import from PDB and BMRB data. parsexml.m Converts an XML file into a Matlab structure. nuclacid.m Nucleic acid data import from PDB and BMRB data. methyl_group.m Coordinates for the four atoms of a methyl group. killdiag.m Zeroes out the diagonal of a 2D spectrum. killcross.m Zeroes the specified rows and columns of a matrix. karplus_fit.m Performs Karplus coefficient estimation from a Gaussian J-coupling scan.

g2spinach.m Converts gparse.m output into Spinach input structures. gparse.m A parser for Gaussian03 and Gaussian09 calculation logs. fatty_acid.m A reasonable approximation to a fatty acid spin system. cyprinol.m Returns Spinach input structures for the spin system of cyprinol. Hfc_display.m – hyperfine coupling tensors and their eigensystems.ĭata import c2spinach.m Reads CASTEP. Cst_display.m – chemical shielding tensors and their eigensystems.Įfg_display.m - electric field gradient tensors and their eigensystems.

Mestrenova export to ascii