c2x
converter between DFT electronic structure codes formats
Command lineScience
Not tested on a device yet. What that means
Commands in the package
c2x
About c2x
From Debian's package description
This program should convert CASTEP's .check, .castep_bin, orbitals and .cell to various other formats, particularly so that they can be visualised with Jmol, XCrysDen, gnuplot and other programs. It can extract charge and spin densities, wavefunctions, symmetry operations, and much else besides. It also interfaces with Abinit, Quantum Espresso, Siesta, VASP, and other electronic structure codes.
The code can also manipulate .cell and .pdb files, building supercells, performing shifts, adding vacuum and rolling nanotubes.
From Debian's description of the c2x package, under that package's license.
Dependencies
Depends on
libc6libsymspg2
Related apps
- quantum-espressoElectronic-Structure and Ab-Initio Molecular Dynamics SuiteCommand line
- heudiconvDICOM converter with support for structure heuristicsCommand line
- gpawDFT and beyond within the projector-augmented wave methodCommand line
- chemical-structuresweb service providing molecular structures in open formatsCommand line
- readseqConversion between sequence formatsCommand line
- moldsSemi-empirical electronic structure and molecular dynamicsCommand line
Sources and licenses
- Name: the Debian package name.
- Summary: Debian's short description of the c2x package, under that package's license.
- Description: Debian's description of the c2x package, under that package's license.
- Versions and sizes: Debian's archive for ARM64, as on packages.debian.org.
- Popularity: Debian Popularity Contest counts.
More in About the catalog.