I guess I should just read the code :) Thanks!
On Fri, Aug 17, 2012 at 11:07 AM, Ben Webb ben@salilab.org wrote: > On 8/15/12 11:57 AM, Dina Schneidman wrote: >> >> I want to add bonds, angles and dihedrals to my structure. It has some >> missing atoms, but I don't want them there on purpose. >> When I create the topology, those atoms are automatically added to the >> structure. >> Is there a way to tell it not to add any missing atoms? > > > When in doubt, read the documentation. ;) > >> topology->setup_hierarchy(mhd_); > > > This is for the common use case "tidy up the hierarchy so it matches the > topology, by adding/removing atoms as necessary". If you don't want to do > that, call the functions it calls yourself, leaving out add_missing_atoms(). > > Ben > -- > ben@salilab.org http://salilab.org/~ben/ > "It is a capital mistake to theorize before one has data." > - Sir Arthur Conan Doyle > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev