Structural > Refinement
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BUSTER-TNT
BUSTER is a software system for crystallographic structure determination by Bayesian statistical methods. |
CNS
Crystallography & NMR System (CNS) provides convient access to the most commonly used algorithms in macromolecular structure determination. |
CRANK
CRANK is a suite of programs for automated macromolecular structure solution. Crank is also designed to help teach novice users about the various programs used in crystallography. |
HBexplore
HBexplore is a tool to identify and then analyze hydrogen bonds in biological macromolecules. |
MIFit
MIFit was originally developed by Duncan McRee as a replacement for his popular xfit program. |
PRODRG
The PRODRG server will convert coordinates for small molecules in PDB format to the following topology formats: GROMOS, GROMACS, WHAT IF, REFMAC5, CNS, O, SHELX, HEX and MOL2. In addition, coordinates for hydrogen atoms are generated. |
REFMAC
REFMAC is a macromolecular refinement program, which can carry out rigid body, TLS, restrained or unrestrained refinement against X-ray data. |
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 |
TLS Motion Determination
TLS Motion Determination (TLSMD) analyzes a protein crystal structure for evidence of flexibility, e.g. local or inter-domain motions. |
TNT
TNT is a general purpose refinement package used in the solution of macromolecular structures using X-ray crystallography. |
X-PLOR
X-PLOR's main focus is the three-dimensional structure determination of macromolecules using crystallographic diffraction or nuclear magnetic resonance (NMR) data. |
vmd-xplor NMR Visualization
The vmd-xplor package is a combination of the X-PLOR structure determination program and VMD (Visual Molecular Dynamics). |