Respected fellow users In order to follow the symmetry-ADR method, following sequence of protocol was followed: generate.inp > generate_template.inp > randomchain.inp>refine.inp>rerefine.inp while using sum averaging method.
With the help of literature ( Unraveling the symmetry ambiguity in a hexamer: Calculation of the R6 human insulin structure, Sean I. O’Donoghue et.al & Calculation of Symmetric Oligomer Structures from NMR Data, Seán I O’Donoghue and Michael Nilges) successfully we were able to add NMR restrains into Molecular dynamics simulated annealing of a symmetric homo-trimer. We have achieved minimum energy structures. However, there must be a single metal atom bound to the three homo trimers at the center. I am unaware that at which step of the protocol I must include the metal such that oligomers of that metal itself does not form. It would be very helpful if someone can please guide me through. I am little stuck as not fully aware of the calculations by XPLOR, I thank you in anticipation. With regards Rajbinder Kaur Virk Research Scholar Department of Biophysics Panjab University Chandigarh-160014 -- *With regards* *Rajbinder Kaur Virk* *Research Scholar * *Department of Biophysics* *Panjab University * *Chandigarh-160014*
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