genice2-mdanalysis
A format plugin for GenIce2 to make a Universe of MDAnalysis.
version 0.7
Requirements
- python^3.9
- GenIce2^2.2.5.2
- MDAnalysis*
Installation from PyPI
% pip install genice2-mdanalysis
Usage
Write the ice structure in various file formats with the help of MDAnalysis.
Usage:
% genice 1c -f mdanalysis > 1c.pickle
% genice 1c -f mdanalysis[1c.gro]
% genice 1c -f mdanalysis[1c.xtc]
Options:
filename The file name to be written. The file type is specified by the
suffix. All the supported file types are listed in the
[MDAnalysis web page](https://docs.mdanalysis.org/stable/documentation_pages/coordinates/init.html#supported-coordinate-formats).
If the file name is not specified, the Universe instance of
MDAnalysis is written to the stdout in the python pickle
format.
Test in place
% make test
1 maintainer
Metadata
1 maintainer
Release files for genice2-mdanalysis 0.7
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| genice2_mdanalysis-0.7.tar.gz | 2.6 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| genice2_mdanalysis-0.7-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 6.2 kB
Release files / genice2_mdanalysis-0.7.tar.gz
| Download URL | genice2_mdanalysis-0.7.tar.gz |
|---|---|
| Size | 2.6 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
poetry/1.8.2 CPython/3.11.4 Darwin/23.2.0
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Release files / genice2_mdanalysis-0.7-py3-none-any.whl
| Download URL | genice2_mdanalysis-0.7-py3-none-any.whl |
|---|---|
| Size | 3.6 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
poetry/1.8.2 CPython/3.11.4 Darwin/23.2.0
|
