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June 19, 2009 at 7:30 pm
#4104
One thing I have learned is that in order to use -pose -loop during docking, is that one must submit a .fasta sequence containing both the protein 1 and protein 2 sequences when generating fragment libraries. This is not obvious. In addition, those sequences must be continuous (as if there were 1 sequence) and the number of residues in this “single” sequence must correspond exactly to the number of residues in the .pdb file.