COMPLETION AND REFINEMENT OF CRYSTAL-STRUCTURES WITH SIR92

被引：5309

作者：

ALTOMARE, A

CASCARANO, G

GIACOVAZZO, C

GUAGLIARDI, A

机构：

[1] Campus Universitario, Bari

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 1993年 / 26卷 / pt 3期

关键词：

D O I：

10.1107/S0021889892010331

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

An automatic procedure for recovering a complete crystal structure after a direct phasing process is described. The procedure consists mainly of a Fourier recycling method that can be implemented in any direct-methods package. The residual R value attained at the end of the process provides an estimate of the degree of success of the structure determination. The procedure can also be applied using a small molecular fragment as prior information. The procedure has been implemented into SIR92, the successor to SIR88.

引用

页码：343 / 350

页数：8

共 29 条

[1] E-MAP IMPROVEMENT IN DIRECT PROCEDURES
ALTOMARE, A
CASCARANO, G
GIACOVAZZO, C
VITERBO, D
[J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1991, 47 : 744 - 748
[2] STEREOSELECTIVE ALDOL CONDENSATION OF 3,4-DIHYDRO-3-OXO-2H-1,4-BENZOTHIAZINES - X-RAY DETERMINATION OF THE ALDOL STEREOSTRUCTURE
BABUDRI, F
FLORIO, S
ZUCCARO, L
[J]. TETRAHEDRON, 1985, 41 (03) : 569 - 573
[3] STATISTICAL PROPERTIES OF NORMALIZED DIFFERENCE-STRUCTURE FACTORS FOR NON-CENTROSYMMETRIC STRUCTURES
BEURSKENS, PT
PRICK, PAJ
DOESBURG, HM
GOULD, RO
[J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1979, 35 (SEP): : 765 - 772
[4] BROMLEY L, 1990, COMMUNICATION
[5] SIR88 - A DIRECT-METHODS PROGRAM FOR THE AUTOMATIC SOLUTION OF CRYSTAL-STRUCTURES
BURLA, MC
CAMALLI, M
CASCARANO, G
GIACOVAZZO, C
POLIDORI, G
SPAGNA, R
VITERBO, D
[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1989, 22 : 389 - 393
[6] BURLA MC, 1992, 14 EUR CRYST M ENSCH
[7] FROM A PARTIAL TO THE COMPLETE CRYSTAL-STRUCTURE .2. THE PROCEDURE AND ITS APPLICATIONS
CAMALLI, M
GIACOVAZZO, C
SPAGNA, R
[J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1985, 41 (NOV): : 605 - 613
[8] AUTOMATIC SOLUTION AND REFINEMENT OF CRYSTAL-STRUCTURES BY MEANS OF THE PACKAGE UNIQUE
CASCARANO, G
GIACOVAZZO, C
CAMALLI, M
SPAGNA, R
WATKIN, DJ
[J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1991, 47 : 373 - 381
[9] SUBSTRUCTURES BY PSEUDOTRANSLATION .1. CRYSTAL-STRUCTURE OF THE HEXAGONAL H-2 POLYTYPE OF DIIRON DIGALLIUM PENTASULFIDE (FE2GA2S5)
CASCARANO, G
DOGGUYSMIRI, L
DUNG, NH
[J]. ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1987, 43 : 2050 - 2053
[10] STRUCTURE OF 21-ACETOXY-11(R)-RIFAMYCINOL-S - THE ROLE OF THE ONE-PHASE AND 2-PHASE SEMI-INVARIANTS IN MULTISOLUTION PHASING METHODS
CERRINI, S
LAMBA, D
BURLA, MC
POLIDORI, G
NUNZI, A
[J]. ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1988, 44 : 489 - 495

← 1 2 3 →