semvec/pypi-packages huggingface dataset:
DigitalPalette-Startup 2.3.8
Generate harmonious colors freely.
Requires Python: >=3.5
Keywords: Digital-Palette,Color-Editor,Color-Palette,Color-Picker,PyQt5,Desktop-Application

# DigitalPalette
![DigitalPalette](https://raw.githubusercontent.com/liujiacode/DigitalPalette/master/src/main/icons/full/icon_full_256.png)

DigitalPalette (DigiPale, short for "Digital Palette") is a free color editor software. It is designed for generating a set of harmonious colors from a color wheel or an existed image, or deriving a gradual board from current color set. Then, you can apply these colors into your creative works.

# Repository
https://github.com/liujiacode/DigitalPalette

# Homepage
https://eigenmiao.site/digipale/

# Version
[2.3.4 Preview](https://github.com/liujiacode/DigitalPalette/releases/tag/v2.3.4-pre)

# Author
[Eigenmiao](mailto:eigenmiao@outlook.com)

# Copyright
Copyright (c) 2019-2021 [Eigenmiao](mailto:eigenmiao@outlook.com). All Rights Reserved.

# License
DigitalPalette is a free software, which is distributed in the hope that it will be useful, but without any warranty. You can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation. See the [GNU General Public License 3.0 (GPL 3.0)](https://www.gnu.org/licenses/) for more details.

All images (including logo and sample images, etc.), documents and translations in DigitalPalette [code repository](https://github.com/liujiacode/DigitalPalette) are licensed under [Creative Commons Attribution-NonCommercial-ShareAlike License 4.0 (CC BY-NC-SA 4.0)](https://creativecommons.org/licenses/by-nc-sa/4.0/) unless stating additionally.

DigitalPalette default uses [Noto Serif](https://fonts.google.com/specimen/Noto+Serif) ([SC](https://fonts.google.com/specimen/Noto+Serif+SC)) fonts and [Noto Sans](https://fonts.google.com/specimen/Noto+Sans) ([SC](https://fonts.google.com/specimen/Noto+Sans+SC)) fonts for interface display, which are designed by Google and published in website [Google Fonts](https://fonts.google.com/). These fonts are open-sourced under [Apache 2.0](http://www.apache.org/licenses/) and [SIL Open Font License 1.1](http://scripts.sil.org/OFL), respectively.
DigitalPalette 2.3.8
Generate harmonious colors freely.
Requires Python: >=3.5
Keywords: Digital-Palette,Color-Editor,Color-Palette,Color-Picker,PyQt5,Desktop-Application

# DigitalPalette
![DigitalPalette](https://raw.githubusercontent.com/liujiacode/DigitalPalette/master/src/main/icons/full/icon_full_256.png)

DigitalPalette (DigiPale, short for "Digital Palette") is a free color editor software. It is designed for generating a set of harmonious colors from a color wheel or an existed image, or deriving a gradual board from current color set. Then, you can apply these colors into your creative works.

# Repository
https://github.com/liujiacode/DigitalPalette

# Homepage
https://eigenmiao.site/digipale/

# Version
[2.3.4 Preview](https://github.com/liujiacode/DigitalPalette/releases/tag/v2.3.4-pre)

# Author
[Eigenmiao](mailto:eigenmiao@outlook.com)

# Copyright
Copyright (c) 2019-2021 [Eigenmiao](mailto:eigenmiao@outlook.com). All Rights Reserved.

# License
DigitalPalette is a free software, which is distributed in the hope that it will be useful, but without any warranty. You can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation. See the [GNU General Public License 3.0 (GPL 3.0)](https://www.gnu.org/licenses/) for more details.

All images (including logo and sample images, etc.), documents and translations in DigitalPalette [code repository](https://github.com/liujiacode/DigitalPalette) are licensed under [Creative Commons Attribution-NonCommercial-ShareAlike License 4.0 (CC BY-NC-SA 4.0)](https://creativecommons.org/licenses/by-nc-sa/4.0/) unless stating additionally.

DigitalPalette default uses [Noto Serif](https://fonts.google.com/specimen/Noto+Serif) ([SC](https://fonts.google.com/specimen/Noto+Serif+SC)) fonts and [Noto Sans](https://fonts.google.com/specimen/Noto+Sans) ([SC](https://fonts.google.com/specimen/Noto+Sans+SC)) fonts for interface display, which are designed by Google and published in website [Google Fonts](https://fonts.google.com/). These fonts are open-sourced under [Apache 2.0](http://www.apache.org/licenses/) and [SIL Open Font License 1.1](http://scripts.sil.org/OFL), respectively.
lib-prep 1.1.2
Python package to analyse and prepare libraries of chemical compounds for molecular simulations.

# LibPrep
Python package to analyse and prepare libraries of chemical compounds for molecular simulations.

## Dependences
- Python 3.7
- Rdkit 2019.03.4
- Schrodinger 2019 (Optional)

# Programs available
## convert_sdfs2pdb.py
Program to transform 3D SDF files with large amount of molecular compounds to several PDBs, renaming also chains, resnames, and resnums to the desired ones.

Example of usage:

python convert_sdfs2pdb.py library.sdf --out_folder library_in_pdb --chain L --resname LIG --resnum 1

For more information:

python convert_sdfs2pdb.py -h

## FragmentTools/prepare_to_frag.py
Program to prepare FragPELE instruction's from PDB libraries.

Exaple of usage:

python FragmentTools/prepare_to_frag.py /path/to/library /path/to/complex.pdb C1 -m first-occurrence -o /out/path/instructions.conf

For more information:

python FragmentTools/prepare_to_frag.py -h