A Scipion plugin to manipulate atomic structure files (PDB/MMCIF)
Project description
Atom_struct_utils scipion plugin
Utilities for handling PDB/mmcif atomic structure files:
Current plugin protocols:
operate (option extract): extract a chain from an atom structure (pdb/cif file).
operate (option add): perform union of several atomic structures.
convert_sym: takes an atomStruct in any icosahedric symemtry and rotates it to another.
Install this plugin
You will need to use 2.0.0 version of Scipion to run these protocols. To install the plugin, you have two options:
Stable version
scipion installp -p scipion-em-atom_struct_utils
OR
through the plugin manager GUI by launching Scipion and following Configuration >> Plugins
Developer’s version
Download repository:
git clone https://github.com/scipion-em/scipion-em-atom_struct_utils.git
Install:
scipion installp -p path_to_scipion-em-atom_struct_utils --devel
Binary files
Atom_struct_utils plugin is a pure Python module, no binary files are required.
Tests
- To check the installation, simply run the following Scipion test:
scipion test –grep TestOperate –run
scipion test –grep TestConvertSymmetry –run
Examples
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Status production version:
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