powder
Introduction
A python package to simulate powder diffraction using CCP4 and xprepx.
Home Page & Repository
Home Page: https://pypi.python.org/pypi/powder/
Documentation: http://pythonhosted.org/powder/
Repository: https://github.com/jcstroud/powder
Example
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
Testing Setup
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.
1 maintainer
Metadata
1 maintainer
Release files for powder 0.9.1
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| powder-0.9.1.tar.gz | 74.9 kB | Without provenance | Details for powder-0.9.1.tar.gz |
Release files / powder-0.9.1.tar.gz
| Download URL | powder-0.9.1.tar.gz |
|---|---|
| Size | 74.9 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
f9af3004b5bc773a3c028628762d4d1e7f200599aeecd326ffa8a2226456c598
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Security for powder 0.9.1
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