On 20 December 2011 16:37, Paul Emsley <[email protected]> wrote: > Hi JED, > > > On 09/12/11 13:29, Judit Debreczeni wrote: >> >> I used to use delete-residue-with-altconf in an extension, looping >> over a subset of residues returned by residues-with-alt-confs. >> >> As delete-residue-with-altconf no longer exists, > > > I must say that I was unaware of the disappearance of > delete-residue-with-altconfs. I don't remember it. Removing it does seem a > retrograde step. >
Santa took it away about a year ago (I thought it was a result of the NMRification of coot) and we got unbound variable errors since, but I've got bullied into fixing it only recently. > >> I use >> delete-residue-with-full-spec instead, which requires an imodel. >> Unfortunately, residues-with-alt-confs does not return the imodel. >> >> I can, of course, assume that imodel = 1, which is true for the >> majority of the cases, > > > It is true for almost all crystallographic models. > > Most of the functions which take atom or residue descriptor arguments ignore > the model. This is historical laziness/unforesightedness/simplification > (call it what you will). > > >> but it is still an uneducated guess. My >> question is: what is the easiest way to get imodel in this context? >> > > Not possible AFAICS, sadly. even active-residue ignores the model. > OK, thanks, good to know. For the time being I will let it fall over if imodel!=1. > Now that I am more NMR-ified, this may well change. This will mean quite a > bit of change to the API. (I am OK with API changes until version 1.0 (then > stability restraints will be instated)). > I would be fine with API changes whatever the version number as long as they are announced and consistent. JED.
