packagesПакет: ghemical (2.98-2) [universe]
Ссылки для ghemical
Ресурсы Ubuntu:
Исходный код ghemical:
Сопровождающий:
Please consider filing a bug or asking a question via Launchpad before contacting the maintainer directly.
Original Maintainers (usually from Debian):
- Debichem Team (Почтовый архив)
- Michael Banck
- Daniel Leidert (dale)
It should generally not be necessary for users to contact the original maintainer.
Внешние ресурсы:
- Сайт [bioinformatics.org]
Подобные пакеты:
A GNOME molecular modelling environment
Ghemical is a computational chemistry software package written in C++. It has a graphical user interface and it supports both quantum- mechanics (semi-empirical) models and molecular mechanics models. Geometry optimization, molecular dynamics and a large set of visualization tools using OpenGL are currently available.
Ghemical relies on external code to provide the quantum-mechanical calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come from the MOPAC7 package (Public Domain), and are included in the package. The MPQC package is used to provide ab initio methods: the methods based on Hartree-Fock theory are currently supported with basis sets ranging from STO-3G to 6-31G**.
Другие пакеты, относящиеся к ghemical
|
|
|
-
- dep: libatk1.0-0 (>= 1.20.0)
- The ATK accessibility toolkit
-
- dep: libblas3gf
- Basic Linear Algebra Subroutines 3, shared library
- или libblas.so.3gf
- виртуальный пакет, предоставляемый libatlas3gf-3dnow, libatlas3gf-base, libatlas3gf-sse, libatlas3gf-sse2, libblas3gf
- или libatlas3gf-base
- Automatically Tuned Linear Algebra Software,generic shared
-
- dep: libc6 (>= 2.4)
- Embedded GNU C Library: Shared libraries
также виртуальный пакет, предоставляемый libc6-udeb
-
- dep: libcairo2 (>= 1.2.4)
- The Cairo 2D vector graphics library
-
- dep: libfontconfig1 (>= 2.4.0)
- generic font configuration library - runtime
-
- dep: libfreetype6 (>= 2.2.1)
- FreeType 2 font engine, shared library files
-
- dep: libgcc1 (>= 1:4.1.1)
- GCC support library
-
- dep: libgfortran3 (>= 4.3)
- Runtime library for GNU Fortran applications
-
- dep: libghemical4
- Molecular Modelling Library
-
- dep: libgl1-mesa-glx
- A free implementation of the OpenGL API -- GLX runtime
- или libgl1
- виртуальный пакет, предоставляемый libgl1-mesa-glx, libgl1-mesa-swx11
-
- dep: libglade2-0 (>= 1:2.6.1)
- library to load .glade files at runtime
-
- dep: libglib2.0-0 (>= 2.12.0)
- The GLib library of C routines
-
- dep: libglu1-mesa
- The OpenGL utility library (GLU)
- или libglu1
- виртуальный пакет, предоставляемый libglu1-mesa
-
- dep: libgtk2.0-0 (>= 2.16.0)
- The GTK+ graphical user interface library
-
- dep: libgtkglext1
- OpenGL Extension to GTK+ (shared libraries)
-
- dep: libice6 (>= 1:1.0.0)
- X11 Inter-Client Exchange library
-
- dep: liblapack3gf
- library of linear algebra routines 3 - shared version
- или liblapack.so.3gf
- виртуальный пакет, предоставляемый libatlas3gf-3dnow, libatlas3gf-base, libatlas3gf-sse, libatlas3gf-sse2, liblapack3gf
- или libatlas3gf-base
- Automatically Tuned Linear Algebra Software,generic shared
-
- dep: libmopac7-1gf
- Semi-empirical Quantum Chemistry Library (library)
-
- dep: liboglappth2
- Oglappth Library
-
- dep: libopenbabel3
- Chemical toolbox library
-
- dep: libpango1.0-0 (>= 1.14.0)
- Layout and rendering of internationalized text
-
- dep: libsc7
- The Scientific Computing Toolkit
-
- dep: libsm6
- X11 Session Management library
-
- dep: libstdc++6 (>= 4.4.0)
- The GNU Standard C++ Library v3
-
- dep: libx11-6
- X11 client-side library
-
- dep: libxml2 (>= 2.6.27)
- GNOME XML library
-
- dep: libxmu6
- X11 miscellaneous utility library
-
- dep: libxt6
- X11 toolkit intrinsics library
-
- dep: mpqc
- The Massively Parallel Quantum Chemistry Program
Загрузка ghemical
| Архитектура | Размер пакета | В установленном виде | Файлы |
|---|---|---|---|
| amd64 | 1 799,0 Кб | 2 896,0 Кб | [список файлов] |
| i386 | 1 792,8 Кб | 2 868,0 Кб | [список файлов] |