DL/SCI/R16

REFINEMENT OF PROTEIN STRUCTURES

November, 1980

Foreword |
(v) |

Practical aspects of stereochemically restrained refinement of protein structures. by Wayne A. Hendrickson |
1 |

Weighting in the restrained least squares refinement of protein structures. by D.S. Moss |
9 |

Use of CORELS for the refinement of biological macromolecules. by Joel L. Sussman |
13 |

New results on fast Fourier least-squares refinement technique. by R.C. Agarwal |
24 |

Block diagonal least squares refinement using fast Fourier techniques. by E.J. Dodson |
29 |

Refinement experiences using chain constraints in real space and energy restraints in reciprocal spaces. by Wolfgang Steigemann |
40 |

On the relationship between X-ray and energy refinement. by R. Diamond |
47 |

Summary of the main discussion period. by A.C. Bloomer and P.R. Evans |
51 |

Modelling disordered parts of protein crystals: a possible aid in crystallographic refinement. by Jan Hermans |
54 |

A novel technique to improve the quality of an electron-density map. by T.N. Bhat and D.M. Blow |
62 |

Phase extension and refinement at 1.37 Å resolution of Avian pancreatic polypeptide using a modified tangent formula. by I.J. Tickle |
64 |

Results and computational aspects of refinement on the CRAY-1. by W. Pulford |
69 |

The importance of refined structures to the understanding of enzyme action. by A.R. Sielecki and M.N.G. James |
78 |

Map improvement by the combination of partial structure and isomorphous phase information. by D.W. Rice |
88 |

Some refinement experiences with 2Zn insulin. by Guy Dodson |
95 |

Summary of the general discussion periods. by John W. Campbell and Mike Elder |
99 |