/usr/share/tasksel/descs/debichem-tasks.desc is in debichem-tasks 0.0.5.
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Section: debichem
Description: DebiChem Ab Initio Calculations
This metapackage will install packages doing ab initio calculations which
might be useful for chemists.
Relevance: 10
Key:
debichem-abinitio
Packages: list
mpqc
psi3
abinit
openmx
nwchem
aces3
cp2k
quantum-espresso
psi4
elk-lapw
ergo
Task: debichem-cheminformatics
Section: debichem
Description: DebiChem Cheminformatics
This metapackage will install cheminformatics packages
useful for chemists.
Relevance: 10
Key:
debichem-cheminformatics
Packages: list
openbabel
python-openbabel
libcdk-java
python-rdkit
python-indigo
python-cinfony
python-fmcs
python-chemfp
libopsin-java
Task: debichem-crystallography
Section: debichem
Description: DebiChem crystallography
This metapackage will install packages for crystallography which might be
useful for chemists.
Relevance: 10
Key:
debichem-crystallography
Packages: list
drawxtl
gcrystal
python-fabio
shelxle
xcrysden
gamgi
Task: debichem-modelling
Section: debichem
Description: DebiChem 3D Molecular Modelling and Visualization
This metapackage will install 3D Molecular Modelling and Visualization
which might be useful for chemists.
Relevance: 10
Key:
debichem-modelling
Packages: list
avogadro
pymol
python-mmtk
Task: debichem-molmech
Section: debichem
Description: DebiChem Molecular Mechanics
This metapackage will install Molecular Mechanics
which might be useful for chemists.
Relevance: 10
Key:
debichem-molmech
Packages: list
adun.app
avogadro
gromacs
lammps
votca-csg
Task: debichem-polymer
Section: debichem
Description: DebiChem Analytical BioChemistry
This metapackage will install packages which enable you to:
.
- load and convert mass spectrometric data files;
- edit biopolymer sequences;
- elaborate complex mass spectrometry workflows;
- perform protein database searches using tandem-ms data;
- view and mine mass spectrometric data;
.
Relevance: 10
Key:
debichem-polymer
Packages: list
massxpert
mmass
lutefisk
openms
libpwiz-tools
python-mzml
tandem-mass
r-cran-maldiquant
r-cran-maldiquantforeign
r-cran-readbrukerflexdata
r-cran-readmzxmldata
r-other-curvefdp
r-other-nitpick
r-cran-mixtools
r-other-amsmercury
r-other-iwrlars
Task: debichem-semiempirical
Section: debichem
Description: DebiChem Semi Empirical
This metapackage will install Semi Empirical
which might be useful for chemists.
Relevance: 10
Key:
debichem-semiempirical
Packages: list
mopac7-bin
cp2k
molds
Task: debichem-view-edit-2d
Section: debichem
Description: DebiChem 2D structure editors
This metapackage will install 2D structure editors which might be
useful for chemists.
Relevance: 10
Key:
debichem-view-edit-2d
Packages: list
bkchem
chemtool
easychem
gchempaint
xdrawchem
Task: debichem-visualisation
Section: debichem
Description: DebiChem 3D Viewers and Calculation Output Visualization
This metapackage will install 3D Viewers and Calculation Output Visualization
which might be useful for chemists.
Relevance: 10
Key:
debichem-visualisation
Packages: list
adun.app
avogadro
cclib
gabedit
garlic
gausssum
gdis
gdpc
jmol
qutemol
rasmol
viewmol
xbs
xmakemol
shelxle
xcrysden
drawxtl
ballview
raster3d
kalzium
gamgi
p4vasp
travis
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