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Remove MDTraj mentions from docs
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padix-key committed Aug 20, 2024
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3 changes: 1 addition & 2 deletions README.rst
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Expand Up @@ -21,7 +21,7 @@ This package bundles popular tasks in computational molecular biology
into a uniform *Python* library.
It can handle a major part of the typical workflow
for sequence and biomolecular structure data:

- Searching and fetching data from biological databases
- Reading and writing popular sequence/structure file formats
- Analyzing and editing sequence/structure data
Expand Down Expand Up @@ -57,7 +57,6 @@ Installation

Some functions require some extra packages:

- **mdtraj** - Required for trajetory file I/O operations.
- **matplotlib** - Required for plotting purposes.

*Biotite* can be installed via *Conda*...
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5 changes: 2 additions & 3 deletions doc/contribution/development.rst
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Expand Up @@ -79,9 +79,8 @@ The import statement for the dependency should be located directly inside the
function or class, rather than module level, to ensure that the package is not
required for any other functionality or for building the API documentation.

An example for this approach is the support for trajectory files in
:mod:`biotite.structure.io`, that require `MDTraj <http://mdtraj.org/>`_.
The usage of these packages is not only allowed but even encouraged.
An example for this approach are the plotting functions in
:mod:`biotite.sequence.graphics`, that require *Matplotlib*.

Code efficiency
---------------
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1 change: 0 additions & 1 deletion doc/install.rst
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Expand Up @@ -20,7 +20,6 @@ dependencies if not already present.

Some functionalities require extra packages:

- ``mdtraj`` - Required for trajectory file I/O operations.
- ``matplotlib`` - Required for plotting purposes.


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5 changes: 0 additions & 5 deletions doc/tutorial/structure/trajectories.rst
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Expand Up @@ -10,11 +10,6 @@ If you like, you can even use the
seamless interaction between *Biotite* and the
`OpenMM <https://openmm.org/>`_ MD simulation toolkit.

.. note::

Reading/writing trajectory files currently requires the
`MDtraj <https://www.mdtraj.org>`_ package.

Reading trajectory files
------------------------

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4 changes: 2 additions & 2 deletions src/biotite/structure/io/__init__.py
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Expand Up @@ -18,8 +18,8 @@
The recommended format for reading structure files is *BinaryCIF*.
It has by far the shortest parsing time and file size.
Besides the mentioned structure formats, Gromacs trajectory files can be
loaded, if `mdtraj` is installed.
Besides the mentioned structure formats, common trajectory formats can be
loaded as well.
"""

__name__ = "biotite.structure.io"
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3 changes: 0 additions & 3 deletions src/biotite/structure/io/trajfile.py
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Expand Up @@ -22,9 +22,6 @@ class TrajectoryFile(File, metaclass=abc.ABCMeta):
frames. The file formats are usually binary and involve sometimes
heavy compression, so that a large number of frames can be stored
in relatively small space.
Since all :class:`TrajectoryFile` subclasses interface *MDtraj*
trajectory file classes, `MDtraj` must be installed to use any of
them.
Notes
-----
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