powder

Introduction

A python package to simulate powder diffraction using CCP4 and xprepx.

Make a new directory and put your pdb file in it.
Make a template settings file in that directory:
```
powder -t > settings.cfg
```
Edit at least the first five values in the settings file on the right hand side of the "=" signs.

Important - Don't change the names on the left of the "=" signs because the left hand side names have meaning.
Run powder with the config file you edited:
```
powder settings.cfg
```

You can test your setup in the test directory with the command:

./powder-test test.cfg

This allows testing after development without the need to build and install.

The -d flag is also available to prevent powder from running ccp4 and xprepx during debugging.