Processing of 3D atomic data (Python 3 version).
Installation
$ pip3 install atom3-py3Usage
Process a PDB file to a pickled pandas dataframe.
$ atom3 parse sample/11as.pdb1.gz sample/parsedDerive subunits of a parsed dataframe.
$ atom3 complex sample/parsed sample/complexes.dillSplit subunits into interacting pairs.
$ atom3 pairs sample/complexes.dill sample/pairsFor help on commands.
$ atom3 -h
$ atom3 parse -h1 maintainer
Metadata
1 maintainer
Release files for atom3-py3 0.2.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| atom3-py3-0.2.1.tar.gz | 27.0 kB | Details |
Release files / atom3-py3-0.2.1.tar.gz
| Download URL | atom3-py3-0.2.1.tar.gz |
|---|---|
| Size | 27.0 kB |
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twine/3.4.2 importlib_metadata/4.8.1 pkginfo/1.7.1 requests/2.26.0 requests-toolbelt/0.9.1 tqdm/4.62.2 CPython/3.9.7
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