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ARIA in the structural biology
PDB structures calculated using ARIA
RECOORD database
CCPN - A Collaborative Computing Project for the NMR community
CCPN aims in providing a service for NMR spectroscopists analogous to that of CCP4 in the X-ray community. Its main objectives are to promote the exchange of ideas through meetings and workshops, to establish a universal data model for harvesting and exchange of data between different NMR related software packages, to develop software packages using the CCPN data model, and to promote the use of the data model and to diffuse NMR related software made by third parties within the NMR community. ISD uses the CCPN data model standard to represent experimental data for various NMR parameters. Use of the CCPN data model also enables one to employ the CCPN FormatConverter for importing data from 20 different input formats.
ISD - Inferential structure determination
ISD is a reformulation of structure calculation in terms of Bayesian inference. The method permits one to infer protein structures from various NMR parameters (assigned NOEs, RDCs, and J couplings). ISD produces high precision structures through an optimal use of the available data. Furthermore it provides an objective measure of the uncertainty ("error bar") of the 3D coordinates of an NMR structure and estimates of all unknown parameters, such as theory parameters. The development of ISD started a couple of years ago in our group, and is now being continued at the University of Cambridge, UK, and the Max Planck institute in Tuebingen, Germany.
Structure generation engines
Structure analysis
Structure vizualisation
Data processing
Automated NMR structure determination
« May 2024 »