WAXSiS – Wide Angle X-ray Scattering in Solvent

WAXSiS

:: DESCRIPTION

WAXSiS is an automated web server that computes Small- and Wide-Angle X-ray Scattering (SAXS/WAXS) curves of biomolecules in solution. The calculations are based on explicit-solvent all-atom molecular dynamics (MD) simulations.

::DEVELOPER

Computational Biophysics Group

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Web browser

:: DOWNLOAD

 NO

:: MORE INFORMATION

Citation

Nucleic Acids Res. 2015 Apr 8. pii: gkv309.
WAXSiS: a web server for the calculation of SAXS/WAXS curves based on explicit-solvent molecular dynamics.
Knight CJ, Hub JS

Tables 1.6 – X-ray Crystallographic Data Lookup

Tables 1.6

:: DESCRIPTION

Tables provides a lookup of anomalous scattering coefficients, symmetry operators (in various different formats), the calculation of symmetry-related points for a given spacegroup, and calculation of the Matthews parameter.

::DEVELOPER

Hofmann Laboratory, Eskitis Institute

:: SCREENSHOTS

 N/A

:: REQUIREMENTS

  • linux/ Windows/ MacOsX
  • Java

:: DOWNLOAD

 Tables

 :: MORE INFORMATION

Citation

Hofmann, A., Wlodawer, A. (2002)
PCSB – a programme collection for structural biology and biophysical chemistry.
Bioinformatics 18, 209-210.

CNSsolve 1.3 – X-ray Crystallography Suite

CNSsolve 1.3

:: DESCRIPTION

CNSsolve (Crystallography & NMR System or CNS) is an X-ray crystallography suite used for refinement, phasing, and molecular replacement

::DEVELOPER

CNSsolve Team

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux / MacOsX

:: DOWNLOAD

 CNSsolve

:: MORE INFORMATION

Citation:

A.T. Brunger,
Version 1.2 of the Crystallography and NMR System,
Nature Protocols 2, 2728-2733 (2007).

Maptools 1.0 – Deal with Experimental (X-ray, EM) 3D Maps

Maptools 1.0

:: DESCRIPTION

Maptools is a small collection of programs for working with experimental three-dimensional (density) maps.The programs are:

pdb2map Create a map from a coordinate file.
pdb2mask Create a mask from a coordinate file.
mapstat Calculate map statistics around a molecular fragment.
rottrans Perform a rigid body search for the best orientation of a structural fragment in a map.
extract Create coordinate files from rottrans output.
display Generate a pseuso-density map from rottrans output.

::DEVELOPER

Bert de Groot

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux

:: DOWNLOAD

 Maptools

:: MORE INFORMATION

Please send your bug reports, comments and suggestions to: bgroot@gwdg.de.