semvec/pypi-packages huggingface dataset:
DP4plus-solv 1.1.1
Solvent DP4+: Impact of solvent effects on DP4+ assignments
License: MIT
Keywords: NMR structural elucidation

# DP4 PLus Solvent Dependence 

## Impact of solvent effects on DP4+ assignment

Authors: Ariel M. Sarotti & María M. Zanardi 


>This repository contains all codes and data required to run DP4Plus calculations that let analized the effect of the solvent on DP4+ assignaments. 

### Description
>This is a Python program to compute DP4+ probabilities in the stereochemical assignament of new organic compounds in different solvents.


### Installation Requirements

**DP4plus_solv.py** needs python 3.8 or later to work. The module can be installed by console using:
`pip3 install DP4plus_solv`

Usage by console: `DP4plus_solv`


    
Detail information is given in UserGuide.pdf included in the package. (Direct acces from GUI)




See the [project repository](https://github.com/Sarotti-Lab/DP4plus_solv) for more details.