Hello Rajbinder-- > > I am trying to use XPLOR module to perform Molecular dynamics simulated > annealing of a symmetric trimer along with NOE restrains. I am not well versed > with the usage of the programme and was following a journal article > "Unraveling the symmetry ambiguity in a hexamer: Calculation of the R6 human > insulin structure" and a book chapter "Calculation of Symmetric Oligomer > Structures from NMR Data" published by O’Donoghue et. al. > I was hoping that the usage of the MDSASO-WDMR protocol by professor > O’Donoghue, would be suitable for my calculations. However, somehow I am not > being able to avail it from: > O’Donoghue, S.I. (1998) Protocols for symmetric oligomers. > http://www.EMBLHeidelberg.DE/nmr/nilges/NMRProtocols/SymmetricOligomers.html > as the paper suggests.
I am not familiar with this protocol, and the web site does indeed seem to be unresponsive. You might either contact the authors of that manuscript, or I could assist you with the calculation with an Xplor-NIH protocol. best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
