SHELXE program

SHELXL is part of the SHELX program suite, a software package containing the following programs ... [Pg.1]

The most recently computed R values from Clemson (Table XII) Indicate that a lower figure can be obtained for a structure that has the same 06 positions within Individual chains but with 06 positions for the center chains being different from 06 positions of the corner chains. However, In the best model from Clemson, the polymer continuity Is disrupted by about 0.2 A at the top of the unit cell due to lack of polymeric constraints In the SHELX program. [Pg.34]

G. M. Sheldrick SHELXS (Program for Solution of Crystal Structures), University of Gottingen, Germany (1986). [Pg.290]

G. M. Sheldrick SHELX. Program from Crystal Structure Determination, University of Cambridge, England (1976). [Pg.300]

Some of the popular density modification programs implementing the real space restraints discussed above are Solomon (Abrahams, 1997), DM (Cowtan, 1999), RESOLVE (Terwilhger, 2003), Pirate (Cow-tan, http // www.ysbl.york.ac.uk/ cowtan/pirate/ pirate.html) and SHELXE (Sheldrick, 2002). [Pg.152]

Sheldrick, G.M. SHELXS-76, a program for crystal structure determination, University Chemical Laboratory, Cambridge, England, 1976. [Pg.537]

Sheldrick, G. M. SHELXS-97, Program for Crystal Structure Determination University of Gottingen Gottingen, Germany, 1997. (b) Sheldrick, G. M. Acta Crystallogr., Sect. A 1990, 46, 467. [Pg.400]

The best approach to date to automatic structure solution is the direct method (DM), introduced by Hauptmann,154 Jerome Karle,155 and Isabella Karle,156 and made possible by efficient computer programs, such as MULTAN (Main,15 Germain,158 and Woolfson59) and SHELX... [Pg.750]

Sheldrick, G. M. SHELX-76 Program for Crystal Structure Determination. Cambridge University, 1976. [Pg.325]

In addition to local programs, the following programs were used on the CICT-CII-HB DPS8 Multics systems Zalkin s Fourier Main Germain s Multan Busing, Martin and Levy s Orffe Sheldrick s Shelx Johnson s Ortep. [Pg.219]

Sheldrick G. M., SHELXS-86 A Program for the Determination of Crystal Structures from Diffraction Data, Univeersity of Gottingen, Germany (1990). [Pg.101]

G. M. Sheldrick, Phase annealing in SHELXS-90 direct methods for larger structures, Acta Cryst. A46, 467 (1990) G. M. Sheldrick, SHELXL-97. University of Gottingen, Germany, (1997). See the footnote on page 515 on how to obtain the programs. [Pg.557]

Powder Cell POWDER CELL a program for the representation and manipulation of crystal structures and calculation of the resulting X ray powder patterns., W. Kraus and G. Nolze, J. Appl. Crystallogr., 1996, 29, 301 303 Powder Cell, Shelx, ICSD (TXT) Powder Cell, Shelx, Opal (XTL), BGMN (STR)... [Pg.512]

Platon Single crystal structure validation with the program PLATON, A. L. Spek, J. Appl. Crystallogr., 2003,36,1 13 Platon, CIF, Shelx, CSD FDAT, PDB... [Pg.552]

Powder Cell for POWDER CELL a program for the Powder Cell, Shelx,... [Pg.552]

Powdis and Powutl/ ORTEX Suite POWDIS and POWUTL PC programs for the display and simulation of X ray powder patterns, P. McArdle and D. Cunningham, J. Appl. Crystallogr., 1998, 31, 826 Shelx... [Pg.552]

Poudrix for LMGP Suite Suite of Programs for the Shelx, Powder Cell,... [Pg.552]

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