Metadata-Version: 2.1
Name: logmd
Version: 0.1.1
Summary: Log MD trajectories with `dyn.attach(LogMd()(atoms)).
Home-page: http://github.com/log-md/logmd
Author: Alexander Mathiasen
Author-email: Alexander Mathiasen <alexander.mathiasen@gmail.com>
License: MIT
Project-URL: Homepage, https://github.com/log-md/logmd
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE

<img src='demo.gif'>
<a href="https://rcsb.ai/logmd/3d090180" target="_blank">link</a>

# Try
```
pip install logmd
git clone https://github.com/log-md/logmd && cd logmd
python demo.py # assumes https://github.com/orbital-materials/orb-models is installed 
```
or
```
from logmd import LogMD
logmd = LogMD(num_workers=2)
dyn.attach(lambda: logmd(atoms), interval=4)
dyn.run(steps)
```
or
```
> logmd 1crn.pdb # also works for trajectories
```
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