Tools por MD post-processing
Project description
mdtoolbelt
Tools por MD post-processing
Important: PIP only installs the package. All the dependencies must be installed separately. To perform a complete installation, please use ANACONDA.
Conversions
Convert structure and trajectory files from one format to another
Python
from mdtoolbelt.conversions import convert
convert(input_trajectory_filename='trajectory.xtc', output_trajectory_filename='trajectory.dcd')
Bash
mdtb convert -it trajectory.xtc -ot trajectory.dcd
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
mdtoolbelt-0.0.3.tar.gz
(18.9 kB
view details)
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file mdtoolbelt-0.0.3.tar.gz.
File metadata
- Download URL: mdtoolbelt-0.0.3.tar.gz
- Upload date:
- Size: 18.9 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.8.0 pkginfo/1.8.2 readme-renderer/32.0 requests/2.25.1 requests-toolbelt/0.9.1 urllib3/1.26.4 tqdm/4.62.3 importlib-metadata/4.8.3 keyring/23.4.1 rfc3986/1.5.0 colorama/0.4.4 CPython/3.6.13
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
428d5a658f600fab6c990b71dff651a3c579c070bf1e887fc5f0069547409471
|
|
| MD5 |
e097dfa44a773040bab913d9de461839
|
|
| BLAKE2b-256 |
aac5512ef0c67ecacdc3ea62a932372c13f95295ca61b0218d5e925e4590e88f
|
File details
Details for the file mdtoolbelt-0.0.3-py3-none-any.whl.
File metadata
- Download URL: mdtoolbelt-0.0.3-py3-none-any.whl
- Upload date:
- Size: 23.3 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.8.0 pkginfo/1.8.2 readme-renderer/32.0 requests/2.25.1 requests-toolbelt/0.9.1 urllib3/1.26.4 tqdm/4.62.3 importlib-metadata/4.8.3 keyring/23.4.1 rfc3986/1.5.0 colorama/0.4.4 CPython/3.6.13
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
e26a0566d1a3eddc54e93c09550d7db95bb0318fee82eb53b0acd7cacaed6a88
|
|
| MD5 |
d35f5d241f9092b63df31889024147aa
|
|
| BLAKE2b-256 |
bdcdbfd2c22770f264683b61a5b25cff4a80487cd22c6cbbf454facbb7016acf
|
