Features
- construction of molecular systems, with special support for proteins and nucleic acids
- infinite systems or periodic boundary conditions (orthorhombic elementary cells)
- common geometrical operations on coordinates
- rigid-body fits
- visualization using external PDB and VRML viewers; animation of dynamics trajectories and normal modes
- the AMBER 94 force field, with several options for handling electrostatic interactions
- a deformation force field for fast normal mode calculations on proteins
- energy minimization (steepest descent and conjugate gradient)
- molecular dynamics (with optional thermostat, barostat, and distance constraints)
- normal mode analysis
- trajectory operations
- point charge fits
- molecular surface calculations
- interfaces to other programs
Read more about this topic: Molecular Modelling Toolkit
Famous quotes containing the word features:
“It is a tribute to the peculiar horror of contemporary life that it makes the worst features of earlier timesthe stupefaction of the masses, the obsessed and driven lives of the bourgeoisieseem attractive by comparison.”
—Christopher Lasch (b. 1932)
“All visible objects, man, are but as pasteboard masks. But in each eventin the living act, the undoubted deedthere, some unknown but still reasoning thing puts forth the mouldings of its features from behind the unreasoning mask. If man will strike, strike through the mask!”
—Herman Melville (18191891)
“The features of our face are hardly more than gestures which force of habit made permanent. Nature, like the destruction of Pompeii, like the metamorphosis of a nymph into a tree, has arrested us in an accustomed movement.”
—Marcel Proust (18711922)