atom3
Processing of 3D atomic data.
Installation
$ pip install atom3Usage
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 0.1.4
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| atom3-0.1.4.tar.gz | 20.6 kB | Without provenance | Details for atom3-0.1.4.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| atom3-0.1.4-py2-none-any.whl | Python 2 | none | any | Details for atom3-0.1.4-py2-none-any.whl |
Total release size: 47.1 kB
Release files / atom3-0.1.4.tar.gz
| Download URL | atom3-0.1.4.tar.gz |
|---|---|
| Size | 20.6 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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|
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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 |
twine/1.12.1 pkginfo/1.4.2 requests/2.21.0 setuptools/40.6.2 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/2.7.15
|
Release files / atom3-0.1.4-py2-none-any.whl
| Download URL | atom3-0.1.4-py2-none-any.whl |
|---|---|
| Size | 26.6 kB |
| Tags | Python 2 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-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 |
twine/1.12.1 pkginfo/1.4.2 requests/2.21.0 setuptools/40.6.2 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/2.7.15
|
Security for atom3 0.1.4
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No provenance found
None of the files in this release were uploaded with provenance metadata.
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