A visualisation tool for chemical structures.

These details have not been verified by PyPI

Project links

Repo

GitHub Statistics

View statistics for this project via Libraries.io, or by using our public dataset on Google BigQuery

Project description

Molara

Molara is an open-source program for the 3-dimensional visualization of molecules and crystal structures. These are some of its main features:

Import of .xyz, .coord, and POSCAR files
Export of rendered structures as raster graphics
Tools for creating custom molecular and crystal structures
Animation of trajectories

New features will follow soon!

Installation

You first need to clone the repository:

git clone <this repo>
cd Molara

It is advisable to install Molara in a virtual Python environment.

Virtual environment on Linux / Mac:

python -m venv venv
source venv/bin/activate

Virtual environment on Windows:

python -m venv venv
.\venv\Scripts\activate.bat

Subsequently, Molara may be installed as follows.

pip install cython numpy setuptools
python -m cython_build build_ext --inplace
pip install -e .

Note that, for the Cython build, a C compiler must be installed on the system (a more detailed description can be found here).

After the installation, Molara may then be started (within the virtual environment) by calling molara from the command line.

Project details

These details have not been verified by PyPI

Project links

Repo

GitHub Statistics

View statistics for this project via Libraries.io, or by using our public dataset on Google BigQuery

Release history Release notifications | RSS feed

This version

0.0.1.7

Apr 12, 2024

0.0.1

Apr 12, 2024

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

Molara-0.0.1.7.tar.gz (707.9 kB view hashes)

Uploaded Apr 12, 2024 Source

Built Distributions

Molara-0.0.1.7-cp311-cp311-win_amd64.whl (1.0 MB view hashes)

Uploaded Apr 12, 2024 CPython 3.11 Windows x86-64

Molara-0.0.1.7-cp311-cp311-win32.whl (986.8 kB view hashes)

Uploaded Apr 12, 2024 CPython 3.11 Windows x86

Molara-0.0.1.7-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (2.7 MB view hashes)

Uploaded Apr 12, 2024 CPython 3.11 manylinux: glibc 2.17+ x86-64

Molara-0.0.1.7-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl (2.7 MB view hashes)

Uploaded Apr 12, 2024 CPython 3.11 manylinux: glibc 2.17+ i686 manylinux: glibc 2.5+ i686

Molara-0.0.1.7-cp311-cp311-macosx_11_0_arm64.whl (1.0 MB view hashes)

Uploaded Apr 12, 2024 CPython 3.11 macOS 11.0+ ARM64

Molara-0.0.1.7-cp310-cp310-win_amd64.whl (1.0 MB view hashes)

Uploaded Apr 12, 2024 CPython 3.10 Windows x86-64

Molara-0.0.1.7-cp310-cp310-win32.whl (988.1 kB view hashes)

Uploaded Apr 12, 2024 CPython 3.10 Windows x86

Molara-0.0.1.7-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (2.5 MB view hashes)

Uploaded Apr 12, 2024 CPython 3.10 manylinux: glibc 2.17+ x86-64

Molara-0.0.1.7-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl (2.5 MB view hashes)

Uploaded Apr 12, 2024 CPython 3.10 manylinux: glibc 2.17+ i686 manylinux: glibc 2.5+ i686

Molara-0.0.1.7-cp310-cp310-macosx_11_0_arm64.whl (1.0 MB view hashes)

Uploaded Apr 12, 2024 CPython 3.10 macOS 11.0+ ARM64

Molara-0.0.1.7-cp39-cp39-win_amd64.whl (1.0 MB view hashes)

Uploaded Apr 12, 2024 CPython 3.9 Windows x86-64

Molara-0.0.1.7-cp39-cp39-win32.whl (990.3 kB view hashes)

Uploaded Apr 12, 2024 CPython 3.9 Windows x86

Molara-0.0.1.7-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (2.6 MB view hashes)

Uploaded Apr 12, 2024 CPython 3.9 manylinux: glibc 2.17+ x86-64

Molara-0.0.1.7-cp39-cp39-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl (2.5 MB view hashes)

Uploaded Apr 12, 2024 CPython 3.9 manylinux: glibc 2.17+ i686 manylinux: glibc 2.5+ i686

Molara-0.0.1.7-cp39-cp39-macosx_11_0_arm64.whl (1.0 MB view hashes)

Uploaded Apr 12, 2024 CPython 3.9 macOS 11.0+ ARM64

Hashes for Molara-0.0.1.7.tar.gz

Hashes for Molara-0.0.1.7.tar.gz
Algorithm	Hash digest
SHA256	`5ae8480eba32195ba88eeac46d1f770d109ffb0df96bef7315bad33661577d2d`
MD5	`25e80fbe1552a89ffb1cab097a7c9d63`
BLAKE2b-256	`ace49bde93a660b3b3a0916e5e18155f174bed3ba26405ff7f685ab81f70f116`

Hashes for Molara-0.0.1.7-cp311-cp311-win_amd64.whl

Hashes for Molara-0.0.1.7-cp311-cp311-win_amd64.whl
Algorithm	Hash digest
SHA256	`b67f9d9798ed946484fe36fa043694f39c25b828a4b95a21e6d3a6dd13037302`
MD5	`b7e0b05cadb247a8ae53e03dbbfb26f3`
BLAKE2b-256	`2d5a99edab8edefdca74f014ad4a4776c30701e7cccf2fb61730786b87890a00`

Hashes for Molara-0.0.1.7-cp311-cp311-win32.whl

Hashes for Molara-0.0.1.7-cp311-cp311-win32.whl
Algorithm	Hash digest
SHA256	`871846549f0f1bd497747248b19ff601c0b130b89798a1ba67f1a4c2521508e3`
MD5	`dfc91d1320c8228cad9fe8f29a147abd`
BLAKE2b-256	`b4a46db69b2cbe43e4d3fbdca472c8e50208ad3d6eb4e39ff7da32aa6e1e6b69`

Hashes for Molara-0.0.1.7-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for Molara-0.0.1.7-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`7f41fff02d3c3a780689b935054bf22d04aea326737f16563269d3343de69f36`
MD5	`eb2d49f2fdef1e75262e2be4a4a65eb4`
BLAKE2b-256	`729667fc53d932621f40293a9930b0a7284d870890754591c6bcd5e7fd646441`

Hashes for Molara-0.0.1.7-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl

Hashes for Molara-0.0.1.7-cp311-cp311-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
Algorithm	Hash digest
SHA256	`b52504707fab0fde5ae3876d4c81a182a6b66f64c9716dadc9f499838e3f194b`
MD5	`58f2ac300b3046a630e2eb5d1639973b`
BLAKE2b-256	`25b25734f60aeb978379229f543b4c87ebbe6269b70fad8bd91693e54b2649a8`

Hashes for Molara-0.0.1.7-cp311-cp311-macosx_11_0_arm64.whl

Hashes for Molara-0.0.1.7-cp311-cp311-macosx_11_0_arm64.whl
Algorithm	Hash digest
SHA256	`8ca8292ee8cc5c8435cae296c8b13374500da2dd3ec008e80c5415d540de544b`
MD5	`6624ea43122a4d12bab4bca2dbd859a1`
BLAKE2b-256	`9c7d19927c0cc5ada410d920e067e376d86addb575adc63ed5d17b35024c73f1`

Hashes for Molara-0.0.1.7-cp310-cp310-win_amd64.whl

Hashes for Molara-0.0.1.7-cp310-cp310-win_amd64.whl
Algorithm	Hash digest
SHA256	`2992114e62267ba1f6e69b86d65e85548dafd180e5dd89d37ca2a17f1b544bec`
MD5	`75b1ab1928b2d65086785fca16f22aab`
BLAKE2b-256	`1ee3ed834a2a9d234272cea4123ec14df4acc349e6bdcb0ce05474be1101f601`

Hashes for Molara-0.0.1.7-cp310-cp310-win32.whl

Hashes for Molara-0.0.1.7-cp310-cp310-win32.whl
Algorithm	Hash digest
SHA256	`f8417a9cd2a35f71b729d89629205acb41b349919c28053bce7eae0a6d843c1a`
MD5	`c6efab6cb096d47867765a26e19ad3ad`
BLAKE2b-256	`7b06fb233ff4a8154c62750ef449cb1e44d5da8eb2f548797798f38efb8d2c1c`

Hashes for Molara-0.0.1.7-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for Molara-0.0.1.7-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`9890a6cfb662addaaefb353625aa04a37dcd6db93faa0e78aee4092a7ebf99a2`
MD5	`9d335727e11a9b592bcf0d2fc997fe35`
BLAKE2b-256	`1358145d52fcc218259f42f0dbb669a0a2fc26ede810c7244386e6f2083992b8`

Hashes for Molara-0.0.1.7-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl

Hashes for Molara-0.0.1.7-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
Algorithm	Hash digest
SHA256	`32d01a9a8e743cf279273904980c1c7f8767c6bf304743eafe318d88ac937148`
MD5	`1a392434887a41b58e285048d4d3ffe5`
BLAKE2b-256	`de73038626b97bbd75a0501d85eb06e46befb12ed84787739d729243e6e9b91d`

Hashes for Molara-0.0.1.7-cp310-cp310-macosx_11_0_arm64.whl

Hashes for Molara-0.0.1.7-cp310-cp310-macosx_11_0_arm64.whl
Algorithm	Hash digest
SHA256	`9e93da23d3818ca423f9c2eca9f375f4f83d0807cfc6580c8c7821d43bdb8971`
MD5	`37d223176ecc47a49e975e14680e5b26`
BLAKE2b-256	`469b3d5936c547dadb72e58ee2104592150dda06cb40c2894afb0586a27adbb9`

Hashes for Molara-0.0.1.7-cp39-cp39-win_amd64.whl

Hashes for Molara-0.0.1.7-cp39-cp39-win_amd64.whl
Algorithm	Hash digest
SHA256	`fade25b55617c236717d792577700b52c108e3842922e8e9969fb920019d3587`
MD5	`9d0dac54bd4bf98997f523340c6f0ceb`
BLAKE2b-256	`e0cd21008b3684165584fd06ed16d0ab295c5f714e60f0fa0f730192dc81de0b`

Hashes for Molara-0.0.1.7-cp39-cp39-win32.whl

Hashes for Molara-0.0.1.7-cp39-cp39-win32.whl
Algorithm	Hash digest
SHA256	`96b91c709e9cee7af7862a6908e2a4f41cc2d05f638186f75cc42e128649570c`
MD5	`6e558384cc61859a06c2f62634817d76`
BLAKE2b-256	`10b5c8ae395432fcba804e96f7f73f2d7853d4869c143c715ccea22f2771ed5c`

Hashes for Molara-0.0.1.7-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl

Hashes for Molara-0.0.1.7-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm	Hash digest
SHA256	`031d3a2466d4b7d76fd05b386c803238d25c15e6ef698273826f25164583b495`
MD5	`b4407ceacae5d4156f83f48229dcdf2b`
BLAKE2b-256	`dfff1020ac2f02e4d5476a9a10e8c9b1924c1948b02227dba67fda8b9970c43e`

Hashes for Molara-0.0.1.7-cp39-cp39-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl

Hashes for Molara-0.0.1.7-cp39-cp39-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl
Algorithm	Hash digest
SHA256	`1d85628053f22dd7b7376bed830d223201645b7f772b9b01cea9bb91018fd36b`
MD5	`55526fff76a7fd7df73c0f9fd815d196`
BLAKE2b-256	`7c1f00ef5084d7db7746f8b7ad7d7e2eb3edbdc45b2d47ec5fe365700628e078`

Hashes for Molara-0.0.1.7-cp39-cp39-macosx_11_0_arm64.whl

Hashes for Molara-0.0.1.7-cp39-cp39-macosx_11_0_arm64.whl
Algorithm	Hash digest
SHA256	`b60ce9d77ed1c896c50ebbcb4778837d38979adf4a4177974a998942ec56b3a1`
MD5	`46c570d529788ce74f691a4e6b25fef6`
BLAKE2b-256	`0816c63d1fbe695e79415c384fc087295c2d47e4ebcd24c1d1c6cd03732468df`