REFMAC5 (CCP4: Supported Program)

User’s manual for the program refmac 5.5

CONTENTS

General

Description

References

Credits

Bugs and Features

Keywords

New keywords for version 5.5

Principal X-ray keywords

General X-ray keywords

Restraints keywords

Harvesting keywords

Usage

TLS

Examples

Files

Input script

Log file

Input and output coordinate files

Input and output reflection files

Input and output TLS parameter files

Dictionary of ligands

Dictionary

Full description of dictionary

Dictionary entry from coordinate file(s)

Dictionary entry from minimum description

Interactive sketcher to make dictionary entry

How to avoid the three letter residue name problem

Retrieve coordinates from dictionary

List of standard monomer descriptions

Links to non-commercial editors to derive coordinates from chemical description

Theory

Chirality

Latest version of refmac and related programs, direct from the Author’s website

Neutron refinement with REFMAC5/REFMACAT