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I am building a new structure that was partially fit with RESOLVE. Various lengths of chain are properly numbered (where RESOLVE identified a match) and the unplaced polyalanine peptides are numbered 801-806, 811-823, 831-835, etc... When I have identified the correct sequence for a stretch of polyalanine, I can renumber it with Coot very nicely. However, after renumbering several stretches it becomes necessary to output a PDB, edit the file to order the renumbered residues, then restart coot with the edited file. This is especially necessary when two stretches should actually be joined. Perhaps I've missed it but does a feature exist in Coot to sort the PDB file by residue number (keeping chains separate)? If not, might it be a desirable feature to include a "sort" button with the "renumber" feature so that the PDB file can be re-ordered? I realize I could use a sort command in UNIX however that would be complicated by the presence of multiple chains and splitting up the PDB by chain could be as tedious as manually editting. Any other easy work-around suggestions from anyone? Many thanks Andy -- Andrew M. Gulick, Ph.D. ----------------------------------- (716) 898-8619 Hauptman-Woodward Institute 700 Ellicott St Buffalo, NY 14203 ----------------------------------- Research Scientist Hauptman-Woodward Institute Assistant Professor Dept. of Structural Biology, SUNY at Buffalo http://www.hwi.buffalo.edu/Faculty/Gulick/Gulick.html http://labs.hwi.buffalo.edu/gulick