[ 原始碼： debian-science ]
套件：science-chemistry（1.14.5）
Debian Science Chemistry packages
This metapackage will install Debian Science packages related to Chemistry. You might also be interested in the field::chemistry debtag and, depending on your focus, in the education-chemistry metapackage.
其他與 science-chemistry 有關的套件
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- dep: science-config (= 1.14.5)
- Debian Science Project config package
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- dep: science-tasks (= 1.14.5)
- Debian Science tasks for tasksel
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- rec: adun.app
- Molecular Simulator for GNUstep (GUI)
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- rec: apbs
- Adaptive Poisson Boltzmann Solver
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- rec: avogadro
- Molecular Graphics and Modelling System
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- rec: bkchem
- Chemical structures editor
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- rec: bodr
- Blue Obelisk Data Repository
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- rec: chemeq
- Parser for chemical formula and equilibria
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- rec: chemical-mime-data
- chemical MIME and file type support for desktops
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- rec: chemical-structures
- web service providing molecular structures in open formats
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- rec: chemtool
- chemical structures drawing program
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- rec: cp2k
- Ab Initio Molecular Dynamics
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- rec: drawxtl
- crystal structure viewer
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- rec: easychem
- Draw high-quality molecules and 2D chemical formulas
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- rec: feff85exafs
- Open Source theoretical EXAFS calculations
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- rec: gabedit
- graphical user interface to Ab Initio packages
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- rec: galculator
- scientific calculator
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- rec: gamgi
- General Atomistic Modelling Graphic Interface (GAMGI)
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- rec: garlic
- visualization program for biomolecules
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- rec: gausssum
- parse and display Gaussian, GAMESS, and etc's output
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- rec: gchempaint
- 2D chemical structures editor for the GNOME2 desktop
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- rec: gcrystal
- lightweight crystal structures visualizer
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- rec: gcu-bin
- GNOME chemistry utils (helper applications)
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- rec: gdis
- molecular and crystal model viewer
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- rec: gdpc
- visualiser of molecular dynamic simulations
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- rec: gelemental
- Periodic Table viewer
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- rec: ghemical
- GNOME molecular modelling environment
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- rec: gperiodic
- periodic table application
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- rec: gromacs
- Molecular dynamics simulator, with building and analysis tools
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- rec: jmol
- Molecular Viewer
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- rec: kalzium
- periodic table and chemistry tools
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- rec: katomic
- atomix puzzle game
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- rec: libcdk-java
- Chemistry Development Kit (CDK) Java libraries
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- rec: mopac7-bin
- Semi-empirical Quantum Chemistry Library (binaries)
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- rec: mpqc
- Massively Parallel Quantum Chemistry Program
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- rec: mpqc-support
- Massively Parallel Quantum Chemistry Program (support tools)
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- rec: openbabel
- Chemical toolbox utilities (cli)
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- rec: openfoam
- Open source toolbox for Computational Fluid Dynamics (CFD) - binaries
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- rec: pdb2pqr
- Preparation of protein structures for electrostatics calculations
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- rec: psi3
- Quantum Chemical Program Suite
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- rec: pyfai
- Fast Azimuthal Integration scripts
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- rec: pymol
- Molecular Graphics System
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- rec: python3-mpiplus
- Python GPU framework for alchemical free energy calculations (Python 3)
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- rec: python3-openbabel
- Chemical toolbox library (Python bindings)
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- rec: python3-pymzml
- mzML mass spectrometric data parsing (Python 3.x)
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- rec: qutemol
- interactive visualization of macromolecules
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- rec: rasmol
- visualization of biological macromolecules
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- rec: tandem-mass
- mass spectrometry software for protein identification
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- rec: v-sim
- Visualize atomic structures
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- rec: xbs
- 3-d models and movies of molecules
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- rec: xdrawchem
- Chemical structures and reactions editor
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- rec: xmakemol-gl
- program for visualizing atomic and molecular systems (OpenGL)
- 或者 xmakemol
- program for visualizing atomic and molecular systems
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- sug: fdmnes
- 套件暫時不可用
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- sug: gcu-plugin
- GNOME chemistry utils (browser plugin)
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- sug: gdpc-examples
- example files for the gdpc program
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- sug: gromacs-mpich
- Molecular dynamics sim, binaries for MPICH parallelization
- 或者 gromacs-openmpi
- Molecular dynamics sim, binaries for OpenMPI parallelization
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- sug: libcoordgen-dev
- 2D coordinate generation for chemical compounds - header files
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- sug: libegad
- 套件暫時不可用
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- sug: libint
- 套件暫時不可用
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- sug: libmaeparser-dev
- Development files to parse Schrödinger Maestro files
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- sug: libschroedinger-coordgenlibs-dev
- 套件暫時不可用
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- sug: mmass
- 套件暫時不可用
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- sug: mmass-modules
- 套件暫時不可用
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- sug: molden
- 套件暫時不可用
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- sug: molekel
- 套件暫時不可用
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- sug: msxpertsuite
- 套件暫時不可用
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- sug: openchrom
- 套件暫時不可用
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- sug: python-pymzml-doc
- mzML mass spectrometric data parsing - documentation
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- sug: python3-amp
- Atomistic Machine-learning Package (python 3)
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- sug: python3-periodictable
- Extensible periodic table of the elements (Python 3)
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- sug: refmac-dictionary
- dictionary for macromolecular refinement and model building
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- sug: tinker
- 套件暫時不可用
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- sug: viewmol
- 套件暫時不可用