On Tue, Mar 15, 2011 at 4:20 AM, John Chipperfield < john.chipperfi...@postgrad.manchester.ac.uk> wrote:
> Therefore does anybody know of a quick way to build the remainder of a > residue around its alpha carbon, short of manually building in COOT etc. I > need to carry out this task on many pdb files so Im looking for as automated > a method as possible. I am not concerned about rigorous energy minimisation > as the conformation of a couple of localised bond angles will not impact too > much on its theoretical AUC. > PULCHRA works very well (and is extremely fast): http://www.pirx.com/pulchra/index.shtml -Nat
