FragUtils
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
Release files for xchem-fragutils 2.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| xchem_fragutils-2.1.0.tar.gz | 51.0 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| xchem_fragutils-2.1.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 111.7 kB
Release files / xchem_fragutils-2.1.0.tar.gz
| Download URL | xchem_fragutils-2.1.0.tar.gz |
|---|---|
| Size | 51.0 kB |
| Tags | Source |
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| Size | 60.7 kB |
| Tags | Python 3 |
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