Minimal Cython wrapper of the TNG trajectory library
Project description
This package provides the TNGFileIterator object to allow simple Pythonic access to data contained within TNG files.
import pytng
import numpy as np
with pytng.TNGFileIterator('traj.tng', 'r') as tng:
positions = np.empty(shape=(tng.n_atoms,3), dtype=np.float32)
for ts in tng:
time = ts.get_time()
positions = ts.get_positions(positions)
This package contains Python bindings to libtng for TNG file format[1] [2]. This is used by molecular simulation programs such as Gromacs for storing the topology and results from molecular dynamics simulations.
Warning
This package is under active development. The API is liable to change between release versions.
Installation
To install using pip, simply run
pip install pytng
To install the latest development version from source, run
git clone git@github.com:MDAnalysis/pytng.git
cd pytng
python setup.py install
Getting help
For help using this library, please drop by the GitHub issue tracker.
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distributions
File details
Details for the file pytng-0.3.3.tar.gz
.
File metadata
- Download URL: pytng-0.3.3.tar.gz
- Upload date:
- Size: 10.6 MB
- Tags: Source
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | b4ae30e1d67ce23d3a5b3c2468808643572872539361d5b24c9cdbad51dd6e24 |
|
MD5 | d3386397c40ad24d40e5b88602f044f7 |
|
BLAKE2b-256 | 004d968fd8fd2a06590e1983b1ede9ef9f0d65c7c5944e8661570e346c3de68e |
Provenance
File details
Details for the file pytng-0.3.3-cp312-cp312-win_amd64.whl
.
File metadata
- Download URL: pytng-0.3.3-cp312-cp312-win_amd64.whl
- Upload date:
- Size: 694.3 kB
- Tags: CPython 3.12, Windows x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | c495366613e9d711c8a77d64f48ca64eb1cf1219c6be77ff88c44aecdd967891 |
|
MD5 | 76439d163a4b8b5cf0ba9812faf3f36e |
|
BLAKE2b-256 | ce81a19e6a391fc76fa8847edf83fb35c83f3d6f43dad415399da282981eeaea |
Provenance
File details
Details for the file pytng-0.3.3-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
.
File metadata
- Download URL: pytng-0.3.3-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
- Upload date:
- Size: 1.7 MB
- Tags: CPython 3.12, manylinux: glibc 2.17+ x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | 85e2f1a4249e5e1bfa22ffd1fa10a92c2a27a2903ec8c61ee041f844e6601f49 |
|
MD5 | 92cb75471d742fa389412e5662dad831 |
|
BLAKE2b-256 | 8e4bcc4a547a0ea553c0313317907abeb96f2f163b39dc666b41c21de25a1790 |
Provenance
File details
Details for the file pytng-0.3.3-cp312-cp312-macosx_10_9_x86_64.whl
.
File metadata
- Download URL: pytng-0.3.3-cp312-cp312-macosx_10_9_x86_64.whl
- Upload date:
- Size: 668.2 kB
- Tags: CPython 3.12, macOS 10.9+ x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | 2623b5ab7a37933a90c69dca7ac20431e513522fba29d0e43dbf09f9866c2e2b |
|
MD5 | 91daacbecb3d40c1ee590bf75bf8ec20 |
|
BLAKE2b-256 | 87c06570f68a62a8233b1fc3a05515326ca73dee8979afbb142b2a5ff14fa367 |
Provenance
File details
Details for the file pytng-0.3.3-cp311-cp311-win_amd64.whl
.
File metadata
- Download URL: pytng-0.3.3-cp311-cp311-win_amd64.whl
- Upload date:
- Size: 699.6 kB
- Tags: CPython 3.11, Windows x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | fc4856c75a37a57e0df914ee4545b68bcd0fdd0787f44b85f06af419092d4c8b |
|
MD5 | 747fabb1de9c183291f390dce7dd19ee |
|
BLAKE2b-256 | 25073bbba9d296d3619154e1798cca0c6f76f608bd1d87981b0a430c9da07728 |
Provenance
File details
Details for the file pytng-0.3.3-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
.
File metadata
- Download URL: pytng-0.3.3-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
- Upload date:
- Size: 1.8 MB
- Tags: CPython 3.11, manylinux: glibc 2.17+ x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | 8f10f3ca2db8f6d056e6e5a2998027456e2eebbdabbe502fec6a40721d7f1938 |
|
MD5 | 050951e9df54d539210ba8b3b5a96bcb |
|
BLAKE2b-256 | 65f54e6e4c71fb50cc665b83cfb4f50e3cb0871a0bb0627a48d6606a0bcd3d76 |
Provenance
File details
Details for the file pytng-0.3.3-cp311-cp311-macosx_10_9_x86_64.whl
.
File metadata
- Download URL: pytng-0.3.3-cp311-cp311-macosx_10_9_x86_64.whl
- Upload date:
- Size: 680.6 kB
- Tags: CPython 3.11, macOS 10.9+ x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | a8f7e2cfbf15c6f6ac9787cb4a12f7dd74ec8b4518d201a3d644d89b8e65596b |
|
MD5 | 1e9f41db351a7c9ad2c52d2cd1a03263 |
|
BLAKE2b-256 | b0fde254695c7775a414f81af54316bea59498182e77f305200a18e75c93b7a7 |
Provenance
File details
Details for the file pytng-0.3.3-cp310-cp310-win_amd64.whl
.
File metadata
- Download URL: pytng-0.3.3-cp310-cp310-win_amd64.whl
- Upload date:
- Size: 700.8 kB
- Tags: CPython 3.10, Windows x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | 711a40e40b574760de313da28193e8a9637e7f6078770edf90f4f82ef2b9e35f |
|
MD5 | 1f5952bff6c23e92928b7088f5973575 |
|
BLAKE2b-256 | be0582e248e2046a6f5a5ab73b6d5f162735dd0b4aed9fa6d860c2a6f00e6bfe |
Provenance
File details
Details for the file pytng-0.3.3-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
.
File metadata
- Download URL: pytng-0.3.3-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
- Upload date:
- Size: 1.7 MB
- Tags: CPython 3.10, manylinux: glibc 2.17+ x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | 3e49c7fe621b9ca1d1731d099b06326d1a454bdede179571b067efb41952e438 |
|
MD5 | 6a7f4f542fd24fbf532ae88bc9260cf0 |
|
BLAKE2b-256 | 971e0ead97bac3137a7fd7f49673d8533c9214faba8f9c3f4c9b2cdfc2711be1 |
Provenance
File details
Details for the file pytng-0.3.3-cp310-cp310-macosx_10_9_x86_64.whl
.
File metadata
- Download URL: pytng-0.3.3-cp310-cp310-macosx_10_9_x86_64.whl
- Upload date:
- Size: 687.6 kB
- Tags: CPython 3.10, macOS 10.9+ x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | bc773ea447e9303026246b741c9623f758ea5efaffbe81ef43e09c16d095d4e8 |
|
MD5 | 2347701c90e42d34e183f618cf998e2b |
|
BLAKE2b-256 | 78d820b214f9198e60554b14ad741892108363463c8f996f896d271d18ef4597 |
Provenance
File details
Details for the file pytng-0.3.3-cp39-cp39-win_amd64.whl
.
File metadata
- Download URL: pytng-0.3.3-cp39-cp39-win_amd64.whl
- Upload date:
- Size: 702.9 kB
- Tags: CPython 3.9, Windows x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | 84d0baa9ba35804cf4e1b32e0d634a226a393c676e2a3f5cfb2d84432de7e74d |
|
MD5 | 3b4195cbad31457a5f3041f102d6a497 |
|
BLAKE2b-256 | 1ef72dd4b2a3c75c685551336ab9182eca9624b32ab65f936599bfa3bc511d40 |
Provenance
File details
Details for the file pytng-0.3.3-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
.
File metadata
- Download URL: pytng-0.3.3-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
- Upload date:
- Size: 1.7 MB
- Tags: CPython 3.9, manylinux: glibc 2.17+ x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | 2d8452fb34db998409ce70e450d3545c37f72cb8e2a4d315db53252f160cc086 |
|
MD5 | 07a7f5535faead1f1ccaee7d0d9e8b60 |
|
BLAKE2b-256 | 5a818ea6035b3cd5585c5fab957308dc033500da6d4ecaef029cf9193d76524a |
Provenance
File details
Details for the file pytng-0.3.3-cp39-cp39-macosx_10_9_x86_64.whl
.
File metadata
- Download URL: pytng-0.3.3-cp39-cp39-macosx_10_9_x86_64.whl
- Upload date:
- Size: 685.5 kB
- Tags: CPython 3.9, macOS 10.9+ x86-64
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/4.0.2 CPython/3.11.9
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | 9d7b7450c8d0529fc58dc2f8fe23fd1409891b32e6b225b6ef84a9134e36361e |
|
MD5 | 46ebfa71b28ec5921846f3a1f741b01e |
|
BLAKE2b-256 | f161b57005a56bae34909ec32e8de200191ecea4b112b1ada1d52189560d98ce |