rdkit-to-params

Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file.

Installation

sudo pip3 install rdkit-to-params

Should I use sudo? pip or pip3?

PyPI page
pypi.org/project/rdkit-to-params
Project JSON
piwheels.org/project/rdkit-to-params/json
Versions
28
Files
27
Downloads (all time)
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Downloads (last 30 days)
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Releases

Version Released Bookworm
Python 3.11		 Files
1.2.5 2023-07-19
1.2.4 2023-05-21
1.2.3 2023-01-09
1.2.2 2022-06-09
1.2.1 2022-05-25
1.2 2022-04-08
1.1.14 2021-10-17
1.1.13 2021-10-01
1.1.12 2021-09-27
1.1.11 2021-09-22
1.1.10 2021-09-21
1.1.9 2021-09-21
1.1.8 2021-06-16
1.1.7 2021-05-28
1.1.6 2021-03-22
1.1.5 2021-02-18
1.1.5b0 pre-release 2021-03-13
1.1.4 2021-01-02
1.1.4b0 pre-release 2021-01-29
1.1.3 2020-11-05
1.1.2 2020-07-21
1.1.1 2020-07-16
1.1.0 2020-07-16
1.0.5 2020-07-10
1.0.4 2020-07-02
1.0.2 2020-06-03
1.0.1 2020-06-02  
1 2020-06-02

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Page last updated 2023-09-12 16:12:03 UTC