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Source: avogadro
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>
Section: science
Priority: optional
Build-Depends: cmake,
debhelper-compat (= 13),
doxygen,
libavogadro-dev (>= 1.100~),
libeigen3-dev,
libgl2ps-dev,
libglew-dev,
libhdf5-dev,
libopenbabel-dev,
libsymspg-dev,
molequeue,
libmolequeue-dev,
pkgconf,
qt6-base-dev,
zlib1g-dev
Standards-Version: 4.7.0
Vcs-Browser: https://salsa.debian.org/debichem-team/avogadro
Vcs-Git: https://salsa.debian.org/debichem-team/avogadro.git
Homepage: https://avogadro.cc/
Package: avogadro
Architecture: any
Depends: ${misc:Depends},
${shlibs:Depends}
Recommends: avogadro-utils,
molequeue
Description: Molecular Graphics and Modelling System
Avogadro is a molecular graphics and modelling system targeted at molecules
and biomolecules. It can visualize properties like molecular orbitals or
electrostatic potentials and features an intuitive molecular builder.
.
Features include:
* Molecular modeller with automatic force-field based geometry optimization
* Molecular Mechanics including constraints and conformer searches
* Visualization of molecular orbitals and general isosurfaces
* Visualization of vibrations and plotting of vibrational spectra
* Support for crystallographic unit cells
* Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry
packages
* Flexible plugin architecture and Python scripting
.
File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as
Gaussian, GAMESS and MOLPRO output.
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