semvec/pypi-packages huggingface dataset:
genice2-twist 2.0
Twist analysis plugin for GenIce.
License: MIT
Keywords: genice,chirality

<img src="sample.png">

```shell
genice2 CRN1 -f twist[svg] > sample.svg
```

# [genice2_twist](https://github.com/vitroid/genice-twist/)

Draw the structure with twist order parameter.

version 2.0

## Requirements


* genice2
* genice2-svg>=0.7
* twist-op>=0.2
* sklearn

## Installation from PyPI

```shell
% pip install genice2_twist
```

## Manual Installation

### System-wide installation

```shell
% make install
```

### Private installation

Copy the files in genice2_twist/formats/ into your local formats/ folder.


## Usage
        
    usage:
        genice II -f twist[options:separated:by:colons] > file

    Output the twist values for all the hydrogen-bonded pairs.

    options:
        png      Draw the hydrogen bonds with a rainbow palette according to the twist value in PNG format.
        png:CM   Draw the hydrogen bonds with color-mixing scheme in PNG format.
        png:DB   Draw the hydrogen bonds with decision-boundary coloring scheme in PNG format.
        png:SB   Draw the hydrogen bonds with simple boundary coloring scheme in PNG format.
        svg      Draw the hydrogen bonds with a rainbow palette according to the twist value in SVG format.
        svg:CM   Draw the hydrogen bonds with color-mixing scheme in SVG format.
        svg:DB   Draw the hydrogen bonds with decision-boundary coloring scheme in SVG format.
        svg:SB   Draw the hydrogen bonds with simple boundary coloring scheme in SVG format.
        yaplot   Draw the hydrogen bonds with a rainbow palette according to the twist value in YaPlot format.
        shadow   Draw shadows to the atoms (PNG and SVG)
        Ih=filename.twhist   Specify the (two-dimensional) histogram of twist parameter in pure ice Ih.
        Ic=filename.twhist   Specify the (two-dimensional) histogram of twist parameter in pure ice Ic.
        LDL=filename.twhist  Specify the (two-dimensional) histogram of twist parameter in pure LDL.
        HDL=filename.twhist  Specify the (two-dimensional) histogram of twist parameter in pure HDL.
        rotatex=30   Rotate the picture (SVG and PNG)
        rotatey=30   Rotate the picture (SVG and PNG)
        rotatez=30   Rotate the picture (SVG and PNG)


## Auxiliary Files

* IhST2.twhist
* IcST2.twhist
* LDLST2.twhist
* HDLST2.twhist

They are two-dimensional (i.e. real and imaginary) histograms of twist order parameter of ST2 water at 235 K, 0.98 g cm<sup>-3</sup>. You have to prepare the appropriate histogram if you want to apply CM (color-mixing) or DB (decision-boundary) coloring scheme to other water models or in other conditions.

## Test in place

```shell
% make test
```

## Reference

* Matsumoto, M., Yagasaki, T. & Tanaka, H. A Bayesian approach for identification of ice Ih, ice Ic, high density, and low density liquid water with a torsional order parameter. J. Chem. Phys. 150, 214504 (2019).
Shubham-s-Password-Manager 1.0.1
Password Manager using pyaes and hashlib
License: MIT
Keywords: Password_Manager

![Logo_Password_manager](https://user-images.githubusercontent.com/71839040/104889364-1eb2d380-5994-11eb-9e82-36aeb99b1c85.png)


# Password_Manager

Password Manager in Python using pyaes and hashlib.

## Description

Todo:
1. Create your Account by entering an Username and a master password.
2. This master password will be used for the creation of the security key,which will be used for encrypting and decrypting all of your passwords in your Account.
3. The Hashing algorithm used is sha256.
4. Your Account passwords will be encrypted in counter mode of aes encryption method.
5. Your Account table (Database used is MYSQL) has columns: Title,Username,URL,Password,Email-ID.
6. Search Your Passwords by entering the corresponding Title or Username or URL.

## Dependencies 

- pymysql
- pbkdf2 
- secrets 
- pillow 
- pyperclip
- pyaes