When adding N terminal residues to a protein, the coordinates are added to the end of the coordinate list. Is there a way of putting the coordinates in residue order?

One way is to run the Protein Preparation Wizard, and select the "Cap termini" option. This method should add the coordinates to the residue and have them in residue order.

Another option is to save the Maestro file for the protein, and convert it to PDB with the pdbconvert utility, with the option -reorder_by_resnum. The resulting file should have the coordinates for each residue grouped together, starting with residue 1.

Keywords: residue coordinates, re-order, reorder_by_resnum, Maestro

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