relax 1.3.14

User Rating: Fair (0.00/5)

License:
GPL
Price:
FREE
Developer:
Edward dAuvergne|More programs
OS:
Updated:
March 21st, 2012

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relax 1.3.14 Description

relax 1.3.14 comes as a flexible, useful and free program designed for the study of the dynamics of proteins or other macromolecules though the analysis of NMR relaxation experiments. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, and the investigation of stereochemistry.

Enhancements:

  • This release focuses on memory usage, performance, and IO. The parallised model-free code was crashing on 32-bit systems due to low memory. The atomic or spin-specific... code is now orders of magnitude faster. The multi-processor framework now has a public API and reference implementation, and has IO capture for slave-to-master message relaying, better GUI integration, and compatibility with logging and teeing. Other changes include expansion of the relax information print out, support for numpy data structures in save files, and the addition of the rdc.delete and pcs.delete user functions
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