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Hi Paul, just cleaning out old messages; I never got this to work back then, and at some point asked you in person to which you said you'd get around to writing that up or something like that. Is it written up yet? (Mind you, when testing it I was simultaneously trying to map keys to something, I think water place; I don't know whether coot got knicker-twisted because of that, but anyway, it didn't work at the time.) phx. Paul Emsley wrote: > On Fri, Apr 13, 2007 at 02:46:57AM +0100, Frank von Delft wrote: >> Hi Paul, thanks for all that. Was Bernard's definition of what's an active >> residue correct then? (I don't think you said in your reply.) >> i.e. whatever's closest to the centre? Does that count for any residue (e.g >> . solvent) too? > > It goes for the nearest CA atom in a displayed molecule, if that > fails, it goes for the nearest atom. > >> * the (refine-active-...) commands refine, and then immediately exit; the >> idea though was to have a key shortcut to get the residue into the actively >> refining state, and then wait for me to accept/decline. > > the > (accept-regularizement) > line does the automatic acceptance. > > You can therefore copy the function refine-active-residue-generic > call it refine-active-residue-fvd, comment out the (accept-regularizement) > function (you will need to adjust the parentheses) and then bind > a key to (refine-active-residue-fvd 1). Hmmm... is that raising the > bar too high? > >> * (autofit-active-residue-rotamer) complains about an unbound variable. > > You mean: (auto-fit-rotamer-active-residue)? > I can't see the problem. Can you paste (me) the error? > >> * #f is no longer something it likes, e.g. as in (latest file #f), causes a >> syntax error when parsing group-settings.scm. > > Sorry. Don't understand. You mean you changed your group-settings.scm > (adding the new bindings?). The distributed group-settings.scm should > be fine. Mail me more about this too. > > Thanks, > > Paul.