Pakket: atomes (1.1.14-1.1)

[ Bron: atomes  ]

atomic-scale 3D modeling toolbox

Atomes is a tool box to analyze (physico-chemical properties calculations), visualize (atoms, bonds, colormaps, measurements, coordination polyedra ...) create (crystal builder, molecular library, surface creation and passivation ...) 3D atomistic models. Atomes offers a workspace capable of handling many projects opened simultaneously. The different projects in the workspace can exchange data: analysis results, atomic coordinates... Atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: Classical MD: DLPOLY and LAMMPS

 - ab-initio MD: CPMD and CP2K
 - QM-MM MD: CPMD and CP2K

To prepare the input files for these calculations is likely to be the key, and most complicated step towards MD simulations. Atomes offers a user-friendly assistant to help and guide the scientist step by step to achieve this crucial step.

This package provides the binaries.

Andere aan atomes gerelateerde pakketten

• dep: atomes-data (= 1.1.14-1.1)

  atomic-scale 3D modeling toolbox (data)

• dep: bash-completion

  programmable completion for the bash shell

• dep: libavcodec60 (>= 7:6.0)

  FFmpeg library with de/encoders for audio/video codecs - runtime files

• dep: libavformat60 (>= 7:6.0)

  FFmpeg library with (de)muxers for multimedia containers - runtime files

• dep: libavutil58 (>= 7:6.0)

  FFmpeg library with functions for simplifying programming - runtime files

• dep: libc6 (>= 2.34)

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6-udeb

• dep: libcairo2 (>= 1.6.0)

  Cairo 2D vector graphics library

• dep: libepoxy0 (>= 1.0)

  OpenGL function pointer management library

• dep: libgcc-s1 (>= 4.0)

  GCC support bibliotheek

• dep: libgdk-pixbuf-2.0-0 (>= 2.22.0)

  GDK Pixbuf library

• dep: libgfortran5 (>= 10)

  Runtime library for GNU Fortran applications

• dep: libglib2.0-0t64 (>= 2.38.0)

  GLib library of C routines

• dep: libglu1-mesa

  Mesa OpenGL utility library (GLU)

• dep: libgomp1 (>= 4.9)

  GCC OpenMP (GOMP) support library

• dep: libgtk-3-0t64 (>= 3.21.5)

  GTK graphical user interface library

• dep: libpango-1.0-0 (>= 1.22.0)

  Layout and rendering of internationalized text

• dep: libpangocairo-1.0-0 (>= 1.14.0)

  Layout and rendering of internationalized text

• dep: libpangoft2-1.0-0 (>= 1.14.0)

  Layout and rendering of internationalized text

• dep: libswscale7 (>= 7:6.0)

  FFmpeg library for image scaling and various conversions - runtime files

• dep: libxml2 (>= 2.7.4)

  GNOME XML library

atomes downloaden

Pakket downloaden voor alle beschikbare platforms

Platform	Pakketgrootte	Geïnstalleerde grootte	Bestanden
amd64	945,3 kB	2.940,0 kB	[overzicht]
arm64	861,3 kB	2.980,0 kB	[overzicht]
armel	843,7 kB	2.734,0 kB	[overzicht]
armhf	838,6 kB	2.178,0 kB	[overzicht]
i386	965,0 kB	3.101,0 kB	[overzicht]
mips64el	861,4 kB	3.275,0 kB	[overzicht]
ppc64el	986,3 kB	3.428,0 kB	[overzicht]
s390x	981,7 kB	3.239,0 kB	[overzicht]