[phenixbb] Secondary structure restraints - where to specify file using GUI?
Nathaniel Echols
nechols at lbl.gov
Mon Dec 20 12:40:32 PST 2010
On Mon, Dec 20, 2010 at 11:23 AM, Luke Rice
<luke.rice at utsouthwestern.edu> wrote:
> I tried what you suggested (dragging my ss restraints file into the input
> area), and it does not seem to be working (i.e. my edited restraints do not
> show up; also the filename never appears in the box). I tried changing the
> fsuix to .eff or .def or .txt, none worked. If instead I drag my restraints
> file onto the phenix.refine icon, I get a warning about 'this application
> does not support the filetype ...'.
Hmm, sounds like a parser issue. A handy tip: to check the syntax of
a Phenix parameter file (for any program, not just phenix.refine), you
can run this command (replacing params.eff with the file of interest):
libtbx.phil params.eff
If it works, it will just print out the parameters - if not, the error
message should give some indication where the error occurred. (Or you
can just send me the file off-list. Perhaps I should add this
function to the GUI too?)
-Nat
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