Efforts at NCMI include development of software tools for reconstruction and analysis of 3D density maps of macromolecular complexes. Analysis includes segmentation, fitting of known structures from X-ray crystallography, building of de-novo models into high-resolution maps, and assessment or validation of the 3D density maps and models. Current and past development efforts include:
- EMAN2 (Tutorials)
- Particle picking, 3D reconstruction, etc.
- Model building
- Segmentation, rigid fitting of models into density
- Measure and visualize the resolvability of structural features in density maps using fitted models. Features include secondary structure elements (α-helices, β-beta strands), and side chains.