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Xavier Robin's avatar
Xavier Robin authored
Previous behavior was to raise an error if any ligand was disconnected.
However, now with the reporting it is more consistent to complete and
report why no score was computed.
b2947b24
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OpenStructure documentation

For Starters

Installation: :doc:`install from source <install>`

Tutorial Style: :doc:`introduction <intro>` | :doc:`molecules intro <intro-01>` | :doc:`images intro <intro-02>` | :doc:`graphics intro <intro-03>`

Molecules

Overview: :doc:`molecules intro <intro-01>` | :doc:`mol overview <mol/base/mol>` | :doc:`graphical entity<gfx/entity>` | :doc:`entity <mol/base/entity>` | :doc:`queries <mol/base/query>` | :doc:`algorithms <mol/alg/molalg>` | :doc:`mm <mol/mm/molmm>`

Trajectories: :doc:`basics <mol/base/traj>` | :ref:`analysis <traj-analysis>`

Input/Output: :ref:`loading and saving molecules <mol-io>`

Connectivity: :doc:`the conop module <conop/conop>` | :doc:`compound library <conop/compoundlib>`

Density Maps and Images

Overview: :doc:`images intro <intro-02>` | :doc:`img module <img/base/img>` | :doc:`img.alg module <img/alg/alg>`

Input/Output: :ref:`loading and saving density maps <img-io>`

Sequences and Alignments

Overview: :doc:`sequence module <seq/base/seq>` | :doc:`sequence algorithms <seq/alg/seqalg>`

Input/Output: :ref:`loading and saving sequences <seq-io>`

Graphics

Overview: :doc:`graphics intro <intro-03>`

Main Classes: :doc:`the scene <gfx/scene>` | :doc:`graphical entity <gfx/entity>`

Graphical User Interface

Overview: :doc:`module overview <gui/gui>` | :doc:`organization <gui/layout>` :doc:`tools <gui/tools>`

Widgets: :doc:`python shell <gui/python_shell>` | :doc:`sequence viewer <gui/sequence_viewer>`

Varia

Datasets: :doc:`tabular data <table>`

Supported File Formats: :doc:`structure formats<io/structure_formats>` | :doc:`sequence formats <io/sequence_formats>` | :doc:`sequence profile formats <io/sequence_profile_formats>` | :doc:`image formats <io/image_formats>`

Users: :doc:`Reporting a problem <users>`

lDDT: :doc:`lDDT command line executable and Python API<mol/alg/lddt>`

Molck: :doc:`Molecular Checker<mol/alg/molck>`

Actions: :doc:`OST Actions<actions>`

Database: :doc:`Efficiently store structural data<db/db>`

Extending OpenStructure

External Tools: :doc:`bindings <bindings/bindings>`

Howto: :doc:`write new modules <newmodule>` | :doc:`integrate third-party tools <external>` | :doc:`logging <base/logging>` | :doc:`instructions for developers <contributing>`