Literature DB >> 2282361

PEANUT: computer graphics program to represent atomic displacement parameters.

W Hummel1, J Hauser, H B Bürgi.   

Abstract

PEANUT is an easy to use computer graphics program for the visualization and real-time manipulation of the atomic displacement parameters of small molecules. A flexible, dynamic data structure allows the user to compute complicated, nonspherical atomic surfaces and to handle the point group symmetry of the molecules automatically. Pictures with hidden-line removal may be plotted in publication quality on appropriate output devices.

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Year:  1990        PMID: 2282361     DOI: 10.1016/0263-7855(90)80006-2

Source DB:  PubMed          Journal:  J Mol Graph        ISSN: 0263-7855


  3 in total

1.  Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2.

Authors:  Malte Fugel; Dylan Jayatilaka; Emanuel Hupf; Jacob Overgaard; Venkatesha R Hathwar; Piero Macchi; Michael J Turner; Judith A K Howard; Oleg V Dolomanov; Horst Puschmann; Bo B Iversen; Hans-Beat Bürgi; Simon Grabowsky
Journal:  IUCrJ       Date:  2018-01-01       Impact factor: 4.769

2.  A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data.

Authors:  Jacco van de Streek; Edith Alig; Simon Parsons; Liana Vella-Zarb
Journal:  IUCrJ       Date:  2019-01-01       Impact factor: 4.769

3.  Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material.

Authors:  Thammarat Aree; Charles J McMonagle; Adam A L Michalchuk; Dmitry Chernyshov
Journal:  Acta Crystallogr B Struct Sci Cryst Eng Mater       Date:  2022-05-11
  3 in total

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