Structure Calculation Software

pasteur.fr

Ambiguous Restraints for Iterative Assignment; automated NOE assignment and NMR structure calculation.

420 visits Feb 18, 2026 Details

nmr.chem.uu.nl

A free Fortran suite of programs for structure refinement using direct NMR nOe restraints.

341 visits Sep 26, 2024 Details

igc.ethz.ch

Molecular dynamics for the study of biomolecular systems, including the derivation of 3D molecular structure from NMR data.

466 visits Mar 15, 2024 Details

nmrfam.wisc.edu

A guide to use free available programs for the structure elucidation of proteins

295 visits May 30, 2024 Details

picasso.ucsf.edu

is a FORTRAN program for calculating proton-proton distances from cross-peak intensities measured from a 2D NOE experiment.

480 visits Mar 4, 2025 Details

nmr.utmb.edu

analyzes 2D NMR NOESY data from oligonucleotides and proteins to evaluate cross-relaxation rates from which interproton distances are obtained

216 visits May 3, 2026 Details

specres.com

Develops and sells Computer Assisted Structure Eluicidation (CASE) programs to the pharmaceutical, biotech and chemical industries.

164 visits Feb 13, 2023 Details

spin.niddk.nih.gov

A program for predicting the magnitude and orientation of a sterically induced alignment tensor

417 visits Nov 7, 2024 Details

xplor.csb.yale.edu

A free Fortran molecular dynamics package with several NMR refinement options including using nOe data as a potential energy term.

115 visits Dec 15, 2024 Details