[phenixbb] automr : ensemble on command line
nechols at lbl.gov
Thu Nov 11 16:26:06 PST 2010
On Thu, Nov 11, 2010 at 3:39 PM, Bryan Lepore <bryanlepore at gmail.com> wrote:
> i keep getting this error :
> The number of entries in identity_list ([80.0, 80.0]) needs to be
> the same as the number of entries in ensemble_1.coords (1)
> on the command line, i specify the ensemble as :
> coords='MR_probe_5_match_to_9.pdb MR_probe_9.pdb' identity='80 80'
> it gets picked up like this :
> ensembleID = "ensemble_1"
> copies_to_find = None
> coords = "MR_probe_5.pdb MR_probe_9.pdb"
> identity = 80 80
> i tried using quotes or not, and rmsd. i'm using "\" for the shell -
> what am i missing here? any clues to look for?
Pathname parameters that are multiple have to be specified separately
- you can't run them together like that on the command line. (It's
fine for simpler list parameters like the identity.) I'd try this
coords="MR_probe_5.pdb" coords="MR_probe_9.pdb" etc.
If that doesn't work, you need to run it from a parameter file
instead. Alternately, use phenix.ensembler to generate a single
multi-model PDB file.
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