EOM modelling with DEER restraints

Linear (OLIGOMER), and non-linear (MIXTURE) analysis, singular value decomposition (SVDPLOT), analysis of flexible systems (EOM/RANCH, GAJOE, NNLSJOE), flexible refinement of high-resolution models (SREFLEX, NMATOR)
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Joined: 2018.04.12 14:11

EOM modelling with DEER restraints

#1 Post by almeida » 2019.05.08 18:02


I am trying to model a monomer protein, from a SEC-SAXS dataset. The protein consists of two rigid bodies connected by a flexible linker. I also have interresidue distances data, obtained by double electron-electron resonance (DEER) spectroscopy. I want to use those distances as restraints for the modeling.

It is any way to define several distances between a pair of residues in the 'contacts' file, corresponding to different domains?

According to the third example for contacts definition in the EOM manual: "N.B. This does not define a set of contacts between domain/subunit 1 and domain/subunit 2. Non P1 symmetry must be defined."

Thanks in advance


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