- MARDIGRAS and CORMA
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corma (COmplete Relaxation Matrix Analysis) is a FORTRAN program for calculating the dipole-dipole relaxation matrix for a system of protons and converting that to intensities expected for a 2DNOE experiment. Programs for structure elucidation by NMR.
The mardigras and corma programs are two separate programs for structure elucidation by nmr. newhyd prepares a pdb file for input to corma.in. If the user has the coordinates in the PDB format for heavy atoms but not protons, it supplies the missing protons and their coordinates; it is a stand alone program. corma.in prepares the output pdb file from newhyd for input to mardigras or corma. mardigras uses the output pdb file from corma.in for the iterative relaxation matrix calculation.
mardigras (Matrix Analysis of Relaxation for DIscerning the Geometry of an Aqueous Structure) is a FORTRAN program for calculating proton-proton distances from cross-peak intensities measured from a 2D NOE experiment.
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