ghemical 2.98-2 (armel binary) in ubuntu lucid
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**.
Details
- Package version:
- 2.98-2
- Status:
- Obsolete
- Component:
- universe
- Priority:
- Optional
Downloadable files
armel build of ghemical 2.98-2 in ubuntu lucid RELEASE produced
these files:
- ghemical_2.98-2_armel.deb (1.7 MiB)
Package relationships
- Depends on:
- libatk1.0-0 (>= 1.29.3)
- libblas3gf
- libc6 (>= 2.4)
- libcairo2 (>= 1.2.4)
- libfontconfig1 (>= 2.8.0)
- libfreetype6 (>= 2.2.1)
- libgcc1 (>= 1:4.4.0)
- libgfortran3 (>= 4.3)
- libghemical4
- libgl1-mesa-glx
- libglade2-0 (>= 1:2.6.1)
- libglib2.0-0 (>= 2.12.0)
- libglu1-mesa
- libgtk2.0-0 (>= 2.8.0)
- libgtkglext1
- libice6 (>= 1:1.0.0)
- liblapack3gf
- libmopac7-1gf
- liboglappth2
- libopenbabel3
- libpango1.0-0 (>= 1.14.0)
- libsc7
- libsm6
- libstdc++6 (>= 4.4.0)
- libx11-6
- libxml2 (>= 2.6.27)
- libxmu6
- libxt6
- mpqc