promoe
Protonize selected atoms with the use of MOE and Pymol.
Free software: GNU General Public License v3
Documentation: https://promoe.readthedocs.io.
Overview
Features
Protonize the binding site of a pdb id automatically
Remove water atoms that are unable to interact with the ligand after protonization
Extract charges for residues
Extract all ligand IDs
Extract all alternative locations
History
0.1.0 (2019-09-30)
First release on PyPI.
1 maintainer
Metadata
1 maintainer
Release files for promoe 0.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| promoe-0.1.0.tar.gz | 17.2 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| promoe-0.1.0-py2.py3-none-any.whl | Python 2, Python 3 | none | any | Details |
Total release size: 34.0 kB
Release files / promoe-0.1.0.tar.gz
| Download URL | promoe-0.1.0.tar.gz |
|---|---|
| Size | 17.2 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 |
twine/1.13.0 pkginfo/1.5.0.1 requests/2.22.0 setuptools/41.4.0 requests-toolbelt/0.9.1 tqdm/4.32.2 CPython/3.7.3
|
Release files / promoe-0.1.0-py2.py3-none-any.whl
| Download URL | promoe-0.1.0-py2.py3-none-any.whl |
|---|---|
| Size | 16.8 kB |
| Tags | Python 2 Python 3 |
|
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/1.13.0 pkginfo/1.5.0.1 requests/2.22.0 setuptools/41.4.0 requests-toolbelt/0.9.1 tqdm/4.32.2 CPython/3.7.3
|
