Analysis Software

AnisoFIT

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 literature, this procedure allows the determination of the magnetic susceptibility tensor anisotropy (for pseudocontact shifts as well as residual dipolar couplings induced by the presence of a paramagnetic metal center) or of the anisotropy of the diffusion tensor (for residual dipolar couplings induced by the presence of orienting media in the protein solution). Go to the service >>

iCing

Calculation of the anisotropy tensors from best fit analysis of PCS and RDC data, with the possibility of a joint analysis of several sets of PCS and RDC and of performing rigid body minimizations. Go to the service >>

Fanten

Fantan allows to calculate the anisotropy tensors from best fit analysis of PCS and RDC data. It also allows to perform a  joint analysis of several sets of PCS and RDC and rigid body minimizations. Go to the service >>

MaxOcc

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. Go to the service >>

ShereKhan

ShereKhan allows to calculate molecular exchange rates. Go to the service >>

TALOS+

TALOS+ is, as the original program TALOS, a program which predicts torsion angles using information derived from chemical shift, amino acid type, and the area of the Ramachandran map where the residue is likely to reside in. This information is compared to information stored in a large database; currently 200 proteins. The input data for this webserver are the 13CA, 13CB, 13C', 15N, 1HA and 1HN NMR backbone chemical shifts of the query protein, either in TALOS or in BMRB format. Go to the service >>