Languages
- 3621
- F90gl
- Fortran interface for OpenGL, an environment for developing portable, interactive 2D and 3D graphics applications, and GLUT.
- 3622
- MATFOR
- A set of Fortran numerical and graphical libraries empowering users with run-time animation, contour plots, surface plots for gaining insights into your computation. [Shareware, 30 days trial]
- 3624
- Plot88
- Graphical library of more than fifty subroutines that produce publication-quality drawings to printers, display adapters and as Postscript, CGM, and AutoCAD DXF files. Source code available.
- 3625
- WSTS Fortran Graphics Subroutine Library
- Callable from Fortran and C programs on Linux and Mac OS X. Binaries and source code are available for purchase. Also includes conversion and utility programs.
- 3626
- gnuplotfortran
- An API for gnuplot for Fortran 95. It uses kernel IPC, and uses fortranposix. [Open source, LGPL]
- 3627
- Haplo
- Fortran 77 code by Daniel E. Weeks and Kenneth Lange for haplotyping with computation of conditional probabilities.
- 3628
- Naccess
- Fortran program to calculate the accessible area of a molecule from a PDB (Protein Data Bank) format file. It can calculate the atomic and residue accessiblities for both proteins and nucleic acids. Free for academics.
- 3631
- DelPhi
- Computes numerical solutions to the Poisson-Boltzmann equation (both linear and nonlinear form) for molecules of arbitrary shape and charge distribution. Includes documentation, examples, and references. Source code may be requested via a form.
- 3632
- Dirac
- Fortran (and a bit of C) code for relativistic molecular calculations based on the Dirac-Coulomb Hamiltonian. Free for academic use.
- 3634
- MDynaMix
- Open source, general purpose molecular dynamics code, written in Fortran 77, for simulating mixtures of either rigid or flexible molecules, interacting by a force field consisting of Lennard-Jones, electrostatic, covalent bonds, angles, and torsion angle potentials. Includes downloads, documentation, and examples.
- 3635
- MOLPRO
- Ab-initio Fortran 90 programs for molecular electronic structure calculations, designed and maintained by H.-J. Werner and P. J. Knowles.
- 3637
- Quantum Mechanics in Chemistry
- Fortran code and documentation from the textbook by Jack Simons and Jeff Nichols.
- 3639
- WIEN 2k
- Fortran 90 code to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW) + local orbitals (lo) method, among the most accurate schemes for band structure calculations. [Commercial]