Package: ghemical (3.0.0-5 and others)
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External Resources:
- Homepage [bioinformatics.org]
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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**.
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- dep: libc6 (>= 2.17) [arm64, ppc64el]
- dep: libc6 (>= 2.32) [sh4]
- dep: libc6 (>= 2.34) [armhf, riscv64]
- dep: libc6 (>= 2.4) [armel, i386, m68k, mips64el, ppc64, s390x, sparc64]
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- dep: libgcc-s1 (>= 3.4) [alpha, riscv64, sh4, sparc64]
- dep: libgcc-s1 (>= 3.5) [armel, armhf]
- dep: libgcc-s1 (>= 4.2) [ia64]
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- dep: libgcc-s2 (>= 4.2.1) [m68k]
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- dep: libgcc-s4 (>= 4.1.1) [hppa]
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- dep: libgdk-pixbuf-2.0-0 (>= 2.22.0)
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- dep: libghemical5v5 (>= 3.0.0)
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- dep: libgl1
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- dep: libglade2-0 (>= 1:2.6.4-2~)
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- rec: xfonts-100dpi
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Download ghemical
Architecture | Version | Package Size | Installed Size | Files |
---|---|---|---|---|
alpha (unofficial port) | 3.0.0-5+b3 | 1,767.2 kB | 2,828.0 kB | [list of files] |
amd64 | 3.0.0-5+b2 | 1,776.8 kB | 2,772.0 kB | [list of files] |
arm64 | 3.0.0-5+b2 | 1,754.5 kB | 2,727.0 kB | [list of files] |
armel | 3.0.0-5+b2 | 1,746.3 kB | 2,660.0 kB | [list of files] |
armhf | 3.0.0-5+b3 | 1,742.3 kB | 2,558.0 kB | [list of files] |
hppa (unofficial port) | 3.0.0-5+b2 | 1,772.5 kB | 2,723.0 kB | [list of files] |
i386 | 3.0.0-5+b2 | 1,783.3 kB | 2,771.0 kB | [list of files] |
ia64 (unofficial port) | 3.0.0-5+b1 | 1,804.4 kB | 3,228.0 kB | [list of files] |
m68k (unofficial port) | 3.0.0-5+b2 | 1,749.4 kB | 2,715.0 kB | [list of files] |
mips64el | 3.0.0-5+b2 | 1,748.1 kB | 2,834.0 kB | [list of files] |
ppc64 (unofficial port) | 3.0.0-5+b2 | 1,776.8 kB | 2,948.0 kB | [list of files] |
ppc64el | 3.0.0-5+b2 | 1,776.3 kB | 2,875.0 kB | [list of files] |
riscv64 (unofficial port) | 3.0.0-5+b3 | 1,766.6 kB | 2,691.0 kB | [list of files] |
s390x | 3.0.0-5+b2 | 1,754.1 kB | 2,771.0 kB | [list of files] |
sh4 (unofficial port) | 3.0.0-5 | 1,778.1 kB | 2,670.0 kB | [list of files] |
sparc64 (unofficial port) | 3.0.0-5+b2 | 1,749.7 kB | 2,779.0 kB | [list of files] |
x32 (unofficial port) | 3.0.0-5+b2 | 1,765.1 kB | 2,678.0 kB | [list of files] |