# CREST Docs

Welcome to the documentation site of .

## Introduction

CREST was developed as a utility and driver program for the semiempirical quantum chemistry package xtb. The programs name originated as an abbreviation for Conformer–Rotamer Ensemble Sampling Tool as it was developed as a program for conformational sampling at the extended tight-binding level GFN-xTB. Since then several functionalities have been added to the code. In its current state, the program provides a variety of sampling procedures, for example for improved thermochemistry, or solvation. Generally, CREST functions as an IO-based scheduler for the xtb program and as tool for analyzing structure ensembles.

This documentation aims to provide a practical installation guide and a series of example applications. Quick links to different sections of the documentation can be found below.

#### Installation

View information on how to install CREST.

#### Examples

View the example applications for CREST.

#### Documentation

View the keyword documentation.

#### Literature

View literature for CREST & Co.