Apologies all for the glitch in the matrix in the middle of my earlier message, I hadn’t had my morning coffee yet - always a bad idea to email on a decaffeinated brain :-)
With regards to set_residue_to_rotamer_number, it seems to take six arguments (I guess there is an “alt_conf” after “ins_code”) but otherwise works fine. One problem though - it returns the same value (1) regardless, whether that rotamer number exists for that residue type (and hence the rotamer switch was successful) or not. This makes it a little bit of a pain to write a shortcut to cycle through rotamers for the active residue, unless there is an easy way that I’m missing? Would it be possible to have this function return -1 on failure? That way it’s easy to catch when one has reached the end of the available list of rotamers and go back to the first one. Cheers, Oli > On Nov 4, 2015, at 7:38 AM, Clarke, Oliver <[email protected]> wrote: > > Hi Paul, > > set_do_probe_dots_on_rotamers_and_chis doesn’t involve communication between > Phenix and Coot does it? These are just the probe dots that appear when > switching between rotamers in the regular rotamers dialog, when Coot is not > connected to Phenix. > > Hi Paul - you mean you can’t download the -pre binaries from Bill Scott’s > website, right? I think that’s because he stopped putting them up online > because they were all crashing with a segfault. Yep, I’m on 10.11, but I > believe the same issue was occurring with 10.10 - Bill was experiencing the > same problem when I reported it to him a while back. > > set_residue_to_rotamer_number should do the trick, thanks! > > Cheers, > Oli. > >> On Nov 4, 2015, at 6:53 AM, Paul Emsley <[email protected]> wrote: >> >> On 28/10/15 17:12, Oliver Clarke wrote: >>> Also, relating to set_do_probe_dots_on_rotamers_and_chis - it would be >>> better I think if probe dots were dismissed upon dismissing the rotamers >>> dialog. >> >> That would involve better communication between Phenix and Coot. I'm all for >> it. >> >>> >>> Right now they remain, even if the rotamer they relate to was not selected. >>> (Also, the latest nightlies still give a segfault upon launch when built on >>> Mac - any chance of a fix?) >> >> I am currently unable to download pre-release binaries (10.10.x) so can't >> test this at the moment. Are you using 10.11.x? >> >>> >>> Incidentally relating to rotamers, I would love to have a shortcut to cycle >>> through possible rotamers for the active residue without having to launch >>> the rotamers dialog, but I can't seem to figure out how to build that using >>> any of the python functions that are available - anyone have any ideas? >>> >> >> set_residue_to_rotamer_number(imol, chain_id, res_no, ins_code, >> rotamer_number) is probably what you want. >> >> Paul. >> >
