Marketplace Services

Structural Research Lab 700 MHz NMR Spectrometer

700MHz Varian/Agilent Varian NMR Systems
- 16.4 T magnetOxford - "Direct Drive" console - four independent RF channels (1H 100 W, BB 400 W, 2 x BB 1000 W), all channels enable for shaped pulses - 40 shim coils - 2H lock - "high band" lock 2H - 1H - variable temperature unit - XYZ PFG amplifier - Show more >

FormatConverter web portal

WeNMR Consortium, Cambridge, United Kingdom

The CcpNmr FormatConverter web interface was designed to facilitate conversions between any existing NMR data formats and types. Show more >

SHIFTX2 web portal

WeNMR Consortium, Utrecht, Netherlands

SHIFTX2 predicts both the backbone and side chain 1H, 13C and 15N chemical shifts for proteins using their structural (PDB) coordinates as input. SHIFTX2 combines ensemble machine learning methods with sequence alignment-based methods to calculate protein chemical shifts for backbone and side chain Show more >

XPLOR-NIH web portal

WeNMR Consortium, Firenze, Italy

This is the WeNMR interface to the Xplor-NIH allowing you to run NMR structure calculations with NOE, dihedral angle and paramagnetic restraints on the WeNMR grid infrastructure. Show more >

Antechamber web portal

WeNMR Consortium, Firenze, Italy

The most common use of the Antechamber program suite is to prepare input files for LEaP, starting from a three-dimensional structure, as found in a PDB file. The antechamber suite automates the process of developing a charge distribution and assigning atom types, and partially automates the process Show more >

AMBER web portal

WeNMR Consortium, Firenze, Italy

Amber (acronym to Assisted Model Building with Energy Refinement) is a suite of programs that allow users to perform molecular dynamics (MD) simulations on biological systems. This web portal makes available the entire functionality of AMBER, in particular (but not only) using NMR-derived informati Show more >

MaxOcc web portal

WeNMR Consortium, Firenze, Italy

Maximum Occurrence (MaxOcc) refers to a method for making rigorous numerical assessments about the maximum percent of time that a conformer of a flexible macromolecule can exist and still be compatible with the experimental data. Maximum Occurrence of a conformer is defined as the maximum weight tha Show more >

AnisoFIT web portal

WeNMR Consortium, Firenze, Italy

Fitting of Pseudocontact Shifts and Residual Dipolar couplings - The program allows users to fit pseudocontact shift and/or residual dipolar couplings measured for a protein against its structure. The calculation exploits the SIMPLEX minimization algorithm. . As extensively documented in the literat Show more >