SHELX statistics

Tool stats & trends

Looking to identify usage trends or leading experts?

Protocols

SHELX specifications

Information


Unique identifier OMICS_30554
Name SHELX
Software type Application/Script
Interface Command line interface
Restrictions to use Academic or non-commercial use
Operating system Unix/Linux, Mac OS, Windows
Computer skills Advanced
Stability Stable
Maintained Yes

Subtools


  • AnoDE
  • SHELXC
  • SHELXD
  • SHELXD - SM
  • SHELXE
  • SHELXL
  • SHELXS
  • SHELXT

Versioning


No version available

Maintainer


  • person_outline George Sheldrick

Additional information


http://shelx.uni-goettingen.de/tutorials.php http://shelx.uni-goettingen.de/wikis.php

Publications for SHELX

SHELX citations

 (22052)
library_books

Highly reproducible alkali metal doping system for organic crystals through enhanced diffusion of alkali metal by secondary thermal activation

2018
Sci Rep
PMCID: 5956060
PMID: 29769611
DOI: 10.1038/s41598-018-26048-6

[…] nchrotron radiation (λ = 0.7000 Å) at the 2D SMC beamline of Pohang Accelerator Laboratory (PAL). The diffraction images were processed using HKL3000. The structures were solved by the direct method (SHELXS-97) and refined by full-matrix least squares calculations on F2 (SHELXL-2016) using the SHELX-TL program package. […]

call_split

Organoruthenium(II) Complexes Ameliorates Oxidative Stress and Impedes the Age Associated Deterioration in Caenorhabditis elegans through JNK 1/DAF 16 Signalling

2018
Sci Rep
PMCID: 5955923
PMID: 29769649
DOI: 10.1038/s41598-018-25984-7
call_split See protocol

[…] he new Ru(II) complexes 3 and4 were done at 293 K with CCD Kappa Diffractometer using graphite mono chromated Mo Kα (k = 0.71073 Å and 1.54184 Å) radiation. The structure solutions were done by using SHELXS-97 and refined by full matrix least square on F2 using SHELXL-2014. […]

call_split

Ratchet free solid state inertial rotation of a guest ball in a tight tubular host

2018
Nat Commun
PMCID: 5954156
PMID: 29765050
DOI: 10.1038/s41467-018-04325-2
call_split See protocol

[…] ctory with dry nitrogen gas flow. The diffraction data were processed with the XDS software program. The structure was solved by direct method and refined by full-matrix least-squares on F2 using the SHELXL-2014/7 program suite running with the Yadokari-XG 2009 software program. In the refinements, fullerene molecules were treated as four rigid body models and restrained by SIMU, alkyl groups were […]

call_split

Stereoselective synthesis, X ray analysis, computational studies and biological evaluation of new thiazole derivatives as potential anticancer agents

2018
Chem Cent J
PMCID: 5945573
PMID: 29748782
DOI: 10.1186/s13065-018-0420-7
call_split See protocol

[…] a BrukerAPEX-II D8 Venture area diffractometer, equipped with graphite monochromatic Mo Kα radiation, λ = 0.71073 Å at 100 (2) K. Cell refinement and data reduction were carried out by Bruker SAINT. SHELXT [, ] was used to solve structure. The final refinement was carried out by full-matrix least-squares techniques with anisotropic thermal data for nonhydrogen atoms on F. CCDC 1504892 and 1505279 […]

library_books

Structural determinants influencing halogen bonding: a case study on azinesulfonamide analogs of aripiprazole as 5 HT1A, 5 HT7, and D2 receptor ligands

2018
Chem Cent J
PMCID: 5945563
PMID: 29748774
DOI: 10.1186/s13065-018-0422-5

[…] []. Data were processed with the same program. Experiments were performed at 100 K excepting crystal of 4, which was measured at room temperature. The phase problem was solved by direct methods with SHELXS-97 []. The model parameters were refined by full-matrix least-squares on F2 using SHELXL-2014/7 []. All non-hydrogen atoms were refined anisotropically. Hydrogen atoms were introduced to all st […]

call_split

Structural insights into the nanomolar affinity of RING E3 ligase ZNRF1 for Ube2N and its functional implications

2018
PMCID: 5941314
PMID: 29626159
DOI: 10.1042/BCJ20170909
call_split See protocol

[…] followed by scaling and merging in AIMLESS/POINTLESS from the CCP4 software suite []. The anomalous signal of Zn2+ atoms was utilized for initial SAD phasing of the Ube2N : ZNRF1CTD crystal using the SHELX suite [] and the model was built using BUCCANEER []. Subsequent rounds of manual building and refinements were carried out using COOT [], REFMAC5 [], and Phenix.Refine []. […]

Citations

Looking to check out a full list of citations?

SHELX institution(s)
Structural Biology, IBMB-CSIC, Barcelona, Spain; ICREA, Barcelona, Spain; Department of Structural Chemistry, Georg-August Universitat Gottingen, Gottingen, Germany
SHELX funding source(s)
Supported by the State of Niedersachsen and the Volkswagenstiftung, and grants BIO2015-64216-P, BIO2013- 49604-EXP and MDM2014-0435 from the Spanish Ministry of Economy and Competitiveness.

SHELX reviews

star_border star_border star_border star_border star_border
star star star star star

Be the first to review SHELX