mol2grid
Python package to insert a ligand in a 3D grid, created based on its respective receptor, considering each atom type as an integer
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install mol2grid
Releases
| Version | Released | Buster Python 3.7 |
Bullseye Python 3.9 |
Bookworm Python 3.11 |
Files |
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| 0.1.4 | 2021-05-19 | ||||
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| 0.1.3 | 2021-05-19 | ||||
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| 0.1.2 | 2021-05-18 | ||||
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| 0.1.1 | 2021-05-18 | ||||
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| 0.1.0 | 2021-05-18 | ||||
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