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rcsb / symmetry

:ferris_wheel: Detect, analyze, and visualize protein symmetry
GNU Lesser General Public License v2.1
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Add support for alignment of local files #41

Closed andreasprlic closed 9 years ago

andreasprlic commented 10 years ago

The current command line interface does not allow to run CE-symm for local PDB files. Add a command line option for that.

andreasprlic commented 10 years ago

or, if it works it needs to be documented.

sbliven commented 10 years ago

@andreasprlic CLI issues should be added to the symmetry-tools project.

Filenames are supported anywhere that a structure name is allowed, including input files and the interactive dialog box. This is documented in CeSymm.md (packaged as README in the tarball) and at the top of the help description.

If more is needed, we could use a more extensive dialogue box with a file chooser and AlignmentGUI-style pdb/chain/range boxes. I prefer the simple single input myself, but of course I'm comfortable with the selection syntax.

lafita commented 9 years ago

Symmetry analysis of local files can be now done through the Symmetry-GUI, the same way as for the other structural alignment algorithms (AlignmentGUI).

CeSymm implements the StructuralAlignment inteface, so the CLI options should be the same as for the other structural alignments. Should we close this?