PypKa
A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
Dependencies
- libgfortran4
- gawk
- pytest
- numpy
License
pypka is distributed under a LGPL-3.0, however delphi4py depends on DelPhi which is proprietary. To use DelPhi the user is required to download the DelPhi license here
Documentation
Documentation can be found here. (Under development)
Installation
pip3 install pypka
apt install gawk gcc gfortran libgfortran4
Contacts
Please submit a github issue to report bugs and to request new features. Alternatively you may find the developer here. Please visit ou website for more information.
1 maintainer
Metadata
1 maintainer
Release files for pypka 0.0.13
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 | |
|---|---|---|---|---|
| pypka-0.0.13.tar.gz | 1.7 MB | Without provenance | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| pypka-0.0.13-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 3.5 MB
Release files / pypka-0.0.13.tar.gz
| Download URL | pypka-0.0.13.tar.gz |
|---|---|
| Size | 1.7 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
436767458024009748aec6f3084df7792e0edf635e215291c76bd9f4f7346398
|
|
BLAKE2b-256 checksum How to use checksums |
a95d2c2b80136589f57aff5f18d8dc6da27be46bd8e7e507d0c51a0625a01114
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/1.13.0 pkginfo/1.5.0.1 requests/2.21.0 setuptools/40.8.0 requests-toolbelt/0.9.1 tqdm/4.31.1 CPython/3.6.8
|
Release files / pypka-0.0.13-py3-none-any.whl
| Download URL | pypka-0.0.13-py3-none-any.whl |
|---|---|
| Size | 1.8 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
60b71670a1c8435ed66d2e1b8ea4030102b16496e17f5e07e345693cfe014d83
|
|
BLAKE2b-256 checksum How to use checksums |
cc9a2ae4c54b3711b48ae64cd8f93b8b2ab013dc96090d258b44d2b18ffb9c80
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/1.13.0 pkginfo/1.5.0.1 requests/2.21.0 setuptools/40.8.0 requests-toolbelt/0.9.1 tqdm/4.31.1 CPython/3.6.8
|
Security for pypka 0.0.13
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
No provenance found
None of the files in this release were uploaded with provenance metadata.
A note on package security
PyPI is a repository for distributing packages, not a service for auditing them. While third-party security researchers and our staff do their best to detect and remove malicious packages, PyPI cannot guarantee the quality, security or suitability of any given package.
