pyMolDyn

pyMolDyn is a viewer for atomic clusters, crystalline and amorphous materials in a unit cell corresponding to one of the seven 3D Bravais lattices. The program calculates cavities (vacancies, voids) according to three definitions.

pyMolDyn GUI

Features

  • Interactive viewer based on GR3

  • Computation of cavities in all seven 3D Bravais lattice systems

  • Creation of high resolution images appropriate for publications

  • Video creation from a set of input frames to analyze cavity changes in materials over time

  • Statistics including

    • Surfaces, volumes and surface volume ratios of cavities and domains

    • Pair distribution functions (including cavities), bonds, bond (dihedral) angles

    • Gyration tensor, asphericity, acylindricity

  • Filter for atoms and cavities

  • Batch mode for simultaneous processing of multiple files

Documentation

Further information on supported input formats and the bravais lattice systems can be found on the pyMolDyn documentation page.

A quick introduction to the gui version is also available.

Download

We provide binary software packages for Linux and Mac OS X at our pyMolDyn homepage.

Contact

For questions, bug reports or feature requests please contact Ingo Meyer (software maintainer).

Project links

Key dates

PyPI data
Data sourced directly from PyPI's database.
  • Released:
Latest release

2 maintainers

PyPI data
Data sourced directly from PyPI's database.
Avatar for IngoMeyer from gravatar.com IngoMeyer Avatar for sciapp from gravatar.com sciapp

Credits

Author: David Knodt, Florian Macherey

Maintainer: Ingo Meyer

License

MIT License (Copyright 2015-2024 Forschungszentrum Jülich GmbH)

Requires

Python >=3.9

Tags

scientific

Classifiers

Report project as malware

Metadata

Project links

Key dates

PyPI data
Data sourced directly from PyPI's database.
  • Released:
Latest release

2 maintainers

PyPI data
Data sourced directly from PyPI's database.
Avatar for IngoMeyer from gravatar.com IngoMeyer Avatar for sciapp from gravatar.com sciapp

Credits

Author: David Knodt, Florian Macherey

Maintainer: Ingo Meyer

License

MIT License (Copyright 2015-2024 Forschungszentrum Jülich GmbH)

Requires

Python >=3.9

Tags

scientific

Classifiers

Report project as malware

Release files for pyMolDyn 0.11.1

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for pyMolDyn 0.11.1
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pymoldyn-0.11.1.tar.gz 1.3 MB Details

Built distributions (wheels)

Table of built distributions (wheels) for pyMolDyn 0.11.1
File
pymoldyn-0.11.1-cp313-cp313-win_amd64.whl 1.3 MB CPython 3.13 CPython 3.13 Windows x86-64 Details
pymoldyn-0.11.1-cp313-cp313-manylinux2014_x86_64.whl 1.4 MB CPython 3.13 CPython 3.13 Linux glibc 2.17+ x86-64 Details
pymoldyn-0.11.1-cp313-cp313-macosx_11_0_arm64.whl 1.3 MB CPython 3.13 CPython 3.13 macOS 11.0+ ARM64 Details
pymoldyn-0.11.1-cp313-cp313-macosx_10_13_x86_64.whl 1.3 MB CPython 3.13 CPython 3.13 macOS 10.13+ x86-64 Details
pymoldyn-0.11.1-cp313-cp313-macosx_10_13_universal2.whl 1.3 MB CPython 3.13 CPython 3.13 macOS 10.13+ universal2 (ARM64, x86-64) Details
pymoldyn-0.11.1-cp312-cp312-win_amd64.whl 1.3 MB CPython 3.12 CPython 3.12 Windows x86-64 Details
pymoldyn-0.11.1-cp312-cp312-manylinux2014_x86_64.whl 1.4 MB CPython 3.12 CPython 3.12 Linux glibc 2.17+ x86-64 Details
pymoldyn-0.11.1-cp312-cp312-macosx_11_0_arm64.whl 1.3 MB CPython 3.12 CPython 3.12 macOS 11.0+ ARM64 Details
pymoldyn-0.11.1-cp312-cp312-macosx_10_13_x86_64.whl 1.3 MB CPython 3.12 CPython 3.12 macOS 10.13+ x86-64 Details
pymoldyn-0.11.1-cp312-cp312-macosx_10_13_universal2.whl 1.3 MB CPython 3.12 CPython 3.12 macOS 10.13+ universal2 (ARM64, x86-64) Details
pymoldyn-0.11.1-cp311-cp311-win_amd64.whl 1.3 MB CPython 3.11 CPython 3.11 Windows x86-64 Details
pymoldyn-0.11.1-cp311-cp311-manylinux2014_x86_64.whl 1.4 MB CPython 3.11 CPython 3.11 Linux glibc 2.17+ x86-64 Details
pymoldyn-0.11.1-cp311-cp311-macosx_11_0_arm64.whl 1.3 MB CPython 3.11 CPython 3.11 macOS 11.0+ ARM64 Details
pymoldyn-0.11.1-cp311-cp311-macosx_10_9_x86_64.whl 1.3 MB CPython 3.11 CPython 3.11 macOS 10.9+ x86-64 Details
pymoldyn-0.11.1-cp311-cp311-macosx_10_9_universal2.whl 1.3 MB CPython 3.11 CPython 3.11 macOS 10.9+ universal2 (ARM64, x86-64) Details
pymoldyn-0.11.1-cp310-cp310-win_amd64.whl 1.3 MB CPython 3.10 CPython 3.10 Windows x86-64 Details
pymoldyn-0.11.1-cp310-cp310-manylinux2014_x86_64.whl 1.4 MB CPython 3.10 CPython 3.10 Linux glibc 2.17+ x86-64 Details
pymoldyn-0.11.1-cp310-cp310-macosx_11_0_arm64.whl 1.3 MB CPython 3.10 CPython 3.10 macOS 11.0+ ARM64 Details
pymoldyn-0.11.1-cp310-cp310-macosx_10_9_x86_64.whl 1.3 MB CPython 3.10 CPython 3.10 macOS 10.9+ x86-64 Details
pymoldyn-0.11.1-cp310-cp310-macosx_10_9_universal2.whl 1.3 MB CPython 3.10 CPython 3.10 macOS 10.9+ universal2 (ARM64, x86-64) Details
pymoldyn-0.11.1-cp39-cp39-win_amd64.whl 1.3 MB CPython 3.9 CPython 3.9 Windows x86-64 Details
pymoldyn-0.11.1-cp39-cp39-manylinux2014_x86_64.whl 1.4 MB CPython 3.9 CPython 3.9 Linux glibc 2.17+ x86-64 Details
pymoldyn-0.11.1-cp39-cp39-macosx_11_0_arm64.whl 1.3 MB CPython 3.9 CPython 3.9 macOS 11.0+ ARM64 Details
pymoldyn-0.11.1-cp39-cp39-macosx_10_9_x86_64.whl 1.3 MB CPython 3.9 CPython 3.9 macOS 10.9+ x86-64 Details
pymoldyn-0.11.1-cp39-cp39-macosx_10_9_universal2.whl 1.3 MB CPython 3.9 CPython 3.9 macOS 10.9+ universal2 (ARM64, x86-64) Details

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Release files / pymoldyn-0.11.1-cp39-cp39-macosx_10_9_x86_64.whl

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This release

0.11.1 This release

26 release files

0.11.0

26 release files

0.10.2

26 release files

0.10.1

26 release files

0.10.0

26 release files

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