biskit -
9999 (This is a sample skeleton ebuild file)
ce -
20040716 (3-D protein structure comparison and alignment using the Combinatorial Extension (CE) method)
cytoscape -
2.7.0 (A visualization platform for molecular interaction networks)
foldx-bin -
2.5.2 (A force field for energy calculations in proteins)
imagej -
1.44n (Image Processing and Analysis in Java)
mmult -
1.0 (MAtching Molecular Models Obtained from THeory)
probalign -
1.3_beta (Probalign uses partition function posterior probability estimates to compute maximum expected accuracy multiple sequence alignments)
sap -
1.0.0 (Pairwise protein structure alignment via double dynamic programming)
surfaceracer -
5.0 (Calculates exact accessible surface area, molecular surface area and average curvature of molecular surface for macromolecules)
abinit -
5.7.3 (Find total energy, charge density and electronic structure using density functional theory)
ape -
1.0.1 (DFT atomic program and pseudo-potential generator)
campos-asap -
2.14 (ASAP is a calculator for campos-ase, implementing the Effective Medium Potential)
campos-ase -
3.0.0.657 (The Atomistic Simulation Environment is the core of the CampOS simulation software. There are Python modules for: building atomic structures, molecular dynamics, structure optimization, analysis and much more.)
campos-dacapo -
2.7.7 (Dacapo is a plane-wave based Density Functional Theory program)
campos-gridpaw -
0.4.2734 (Real-spaced implementation of Density Functional Theory with Projector-Augmented Waves)
exciting -
0.9.74 (A full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features)
octopus -
3.0.0 (A first principles, electronic structure, excited states, time-dependent density functional theory program)