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
1 maintainer
Metadata
1 maintainer
Release files for im-fragalysis 1.2.5
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Release files / im_fragalysis-1.2.5-py3-none-any.whl
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| Size | 58.5 kB |
| Tags | Python 3 |
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