CRYSTALLOGRAPHY / STRUCTURE ANALYSIS LINKS


Structure databases

Structure solution and refinement


Model building


Structure validation


Molecular Graphics


Structure analysis

  • APBS (Adaptive Poisson-Boltzmann Solver): evaluating the electrostatic properties of biomolecules.
  • Atlas of protein side-chain interactions.
  • CaPTURE, cation-pi interaction analysis
  • castP: A Server for Identification of Protein Pockets & Cavities
  • Comparer, multiple structure aligment, outputs sequence aligment.
  • ConSurf server: identification of functional regions in proteins
  • DALI (3-D structure database searches) and Dali Lite (Pairwise comparison of protein structures)
  • 3DNA analysis, rebuilding and visualization of nucleic acid structures.
  • Dynamite: web-server that predicts protein motions.
  • DynDom, Protein domain motion analysis.
  • elNEMO: computes the low frequency normal modes of a protein, with potential use in difficult molrep problems.
  • ESCET: analysis and comparison of 3D protein structures by T. Schneider.
  • Evolutionary Trace Server
  • GROMACS: molecular dynamics.
  • HBexplore: analysis of hydrogen bonds in macromolecules.
  • Indonesia : integrated program package for biological sequence analysis. Includes Structure-based multiple sequence alignment.
  • Interhlx : interhelical angles calculation.
  • LigPlot : schematic diagrams of protein-ligand interactions.
  • NACCESS Atomic Solvent Accessible Area Calculations.
  • PARVATI : Protein Anisotropic Refinement Validation and Analysis
  • PINTS: Patterns in Non-homologous Tertiary Structure
  • PiQSi: Protein quaternary structure investigation.
  • PISA: Protein Interfaces, Surfaces and Assemblies.
  • PRODRG Server-Dundee
  • PROPKA, empirical prediction and interpretation of protein pKa values
  • ProMate, prediction of potential binding sites
  • Protein-Protein Interaction Server
  • ProtSkin, converts a protein sequence alignment to a property file used to map the sequence conservation onto the structure.
  • RAPPER server: ab initio conformational search algorithm for restraint-based protein modelling.
  • SPASM server, recognition of spatial motifs( Uppsala Software Factory ).
  • SSBOND: Model building of disulfide bonds (Bart Hazes)
  • Structural Thermodynamics Calculations, free energy calculations from the structure of different complexes.
  • STructure ANalysis server ( Uppsala Software Factory ).
  • SURFNET : Surfaces, cavities, etc.
  • TOPS : protein topology cartoons (EBI)
  • Uppsala Software Factory (USF).
  • Structural alignment :
    • CE-MC: Multiple Protein Structure Alignment Server (Univ Albany)
    • Dali Lite (Pairwise comparison of protein structures)
    • MAPS : Multiple Alignment of Protein Structures (access via Web Server).
    • MUSTANG Multiple Strutural Alginment Algorithm (Alternative site).
    • RAPIDO: Rapid Alignment of Protein structures In the presence of Domain mOvements
    • Stralign: Structure alignment for 3D protein structures.
    • STRAP: Multiple sequence and structure alignment.
    • TCoffee, includes Expresse 3D alignment
    • Theseus, maximum likelihood superpositioning and analysis of macromolecular structures.

Crystallization


Teaching and Tables


Synchrotrons


Suppliers: crystallization


X-Ray Equipment


Last update: 4th August 2008