That was fast! Thanks Paul, I'll try it out. Bill Scott's webpage (my usual source of nightly builds) has been down for several days, so I'll try to build it myself from source - I recall that being a little bit of a finicky process on OS X last time I tried, but hopefully I'll manage.
Another note - what is active_atom_spec() supposed to do? I guessed it was an equivalent of active_residue() but returning the specific atom rather than the CA, but it returns this when called: _90ac6c78c97f0000_p_std__pairT_bool_std__pairT_int_coot__atom_spec_t_t_t While pushing the following to the console: BL INFO:: command input is: active_atom_spec() BL INFO:: result is <Swig Object of type 'std::pair< bool,std::pair< int,coot::atom_spec_t > > *' at 0x10c8cda50> swig/python detected a memory leak of type 'std::pair< bool,std::pair< int,coot::atom_spec_t > > *', no destructor found. Oliver. On Tue, 31 Dec 2013 10:04:53 +0000, Paul Emsley <pems...@mrc-lmb.cam.ac.uk> wrote: >On 31/12/13 01:32, Paul Emsley wrote: >> >>> >>> to check for a matching chain, but the output of >>> align_to_closest_chain() is either 0 or 1. >>> >>> The matching chain id is present in the console output, but I haven�t >>> yet figured out how to parse that and do anything useful with it - >>> the console output does not seem be easily accessible via either >>> stdout or stderr (was hoping I could redirect the console output to a >>> file and grep it for the chain id - ugly but I don�t know a better way). >> >> OK, that's a good point. >> >> So the policy is that interesting variables/values should be returned >> by functions. In this case it would be good to know the selected >> chain-id, but you don't get that - so that's a problem. I'll fix that >> now. In future this function will return False or the molecule number >> and chain-id. >> >> > >OK, look out for revision 4867. > >Regards, > >Paul.
