Computer programs for RMSD and Principal Component analyses of 2D solid state NMR spectra
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资源简介：
Fortran95 code for programs that can be used to calculate the root-mean-squared deviations between all pairs of 2D solid state NMR spectra in a specified set of spectra (compare_spectra.f95) or to perform a principal component analysis of the spectra by singular value decomposition (compare_spectra_pca.f95). Examples of input files for these programs are also included (rmsd_input_example.txt and pca_input_example.txt, respectively).
创建时间：
2021-06-01
