Commit 20104b7a authored by Fabrice  ALLAIN's avatar Fabrice ALLAIN
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Add changelog

parent 7eda697e
1. What's new in version 2.4 ?
1.1 Potential of Mean Forces for dihedral angles () and H-bonds ()
1.2 Clustering step during the iterative process
1.3 Extended scoring function including PMF, coulombic and full Lennard Jones functions
1.4 Restraints generation from evolutionary couplings and secondary structure prediction
1. What's new in version 2.3?
- bug fixes
- support of CCPN version 2 (instead of CCPN v1)
- extension of symmetric oligomers support (C3, C5 and D2)
(in the GUI, go to "Data > Symmetry")
- introduction of the log-harmonic potential for distance restraints (Nilges et al. Structure, 2008)
(go to "Structure Generation > CNS > Annealing Parameters > Log-Hamonic potential")
- import of CCPN Models/Structure ensembles as initial structure for the minimization protocol or
as template structures for the initial assignment/calibration step.
- addition of Zinc ions coordination (through covalent bonds)
(go to "Add > Zinc Coordination")
- Automated Molprobilty (clashlist) analysis
(go to "Analyses > Molprobity Clashlist")
- addition of old aria1.x features (keep_structures, only fully assigned peaks)
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