Fragalysis
Basic RDKit based Python tools for analysis of protein-ligand interactions.
Currently contains the following: -
Clustering - based on WONKA method - but separated from that code-base. Cluster waters, residues, ligands and pharmacophores. (Under development)
Astex Fragment Network - implementation on the basis of their recent paper
Conformer generation code - based on known X-ray structures
3 maintainers
Metadata
3 maintainers
Release files for fragalysis 1.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| fragalysis-1.1.0.tar.gz | 49.6 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| fragalysis-1.1.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 108.4 kB
Release files / fragalysis-1.1.0.tar.gz
| Download URL | fragalysis-1.1.0.tar.gz |
|---|---|
| Size | 49.6 kB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
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Release files / fragalysis-1.1.0-py3-none-any.whl
| Download URL | fragalysis-1.1.0-py3-none-any.whl |
|---|---|
| Size | 58.8 kB |
| Tags | Python 3 |
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SHA-256 checksum How to use checksums |
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twine/4.0.2 CPython/3.10.13
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