Structural > Phasing > MIR
|
ACORN
ab initio procedure for the determination of protein structure using atomic resolution data, and for finding sub-structures from anomalous or isomorphous differences. |
CNS
Crystallography & NMR System (CNS) provides convient access to the most commonly used algorithms in macromolecular structure determination. |
MLPHARE
MLPHARE (maximum likelihood heavy atom refinement and phase calculation) refines heavy atom parameters and error estimates. |
RANTAN
RANTAN is a direct method program for the determination of heavy atom positions in a macro-molecular structure. It can also be used to determine small molecule structures. |
SHARP/AutoSHARP
autoSHARP is an automated structure solution pipeline. SHARP refines heavy atom sites and calculates phases. |
SHELX
The SHELX suite of programs for macromolecular structure determination includes modules for the determination of substructure structure factors (SHELXC), substructure solution (SHELXD), phase calculation, and density modification (SHELXE). |
SOLVE/RESOLVE
SOLVE: Automated crystallographic structure solution for MIR, SAD, and MAD; RESOLVE: Statistical density modification, local pattern matching, automated model-building, automated ligand-fitting, and prime-and-switch minimum bias phasing |
XPREP
XPREP is used to evaluate diffraction data. It can also detect twinning. |