Hello Charles and all, For refinement, I have two questions here need your help to figure out. 1.How to handle the only one tDB violation in my structure? There is only one violation left in my structure, this violation is located in transition region between helix and beta-strand, there were no any experimental restraints for this residue, and the tDB energy is about 4400 kcal/mol, the tDB energy is still about 4300 kcal/mol even there is no tDB violations, would you please give me some suggestions how to figure out this problem? BTW, what is the acceptable number of tDB violations? 2. How to add chainID to pdb file? I have converted an ensemble of structure files to single pdb using ens2pdb, and I tried using wwPDB server to do structure validation, but failed. The errors show that there are missing chainID in this pdb. I tried using "-remaneSegid" to solve this problem, it didn't work. How can I add chainID? Could I get the pdb with chainID during refinement process?
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