[phenixbb] ncs in phenix.autobuild

[Thomas C. Terwilliger]

Hi Kaituo,

I'm sorry for the trouble!   I am hoping that if you use the latest
release (1.3 rc4 or final) of phenix that this will go away, as I fixed a
bug a month or so ago that had the symptom you describe. If it does not,
please let me know and I will fix the simple_ncs_from_pdb routine.

Thanks!
-Tom T

> Hi all,
>
> I failed in running phenix.autobuild. The end of the logfile said :
> ______________________________________________________
> Build cycle 2 of 11   method:rebuild
>
> ...Using simple_ncs_from_pdb to find NCS
> Residues expected:  [62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74]
> Residues found   :  []
>
> ********************************************************************************
> Failed to carry out AutoBuild_build_cycle:
>
> Did not find expected residues in get_xyz_list
> _____________________________________________________________
> The two ncs chain sequence is not exactly same , some sidechain missing
> and
> some connectivity not well.
> But the residue 62-74 is there in both chains. Have the ncs group to be
> exactly same to find NCS? how can i fix this?
>
> ps: phenix.simple_ncs_from_map works well with my pdb. using the ncs_spec
> file also not works
>
> many thanks
>
> kaituo
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