www.freechemical.info

338 Database entries



QMOL


Ratings:    4  votes
Please vote:   

OS: Windows

License: Freeware





Qmol is a program for viewing molecular structures and animating molecular trajectories.

Features:

Molecular Display Options

Wire frame, Stick figure, Ball and stick, Point, Space-filling, Solid and Flat ribbon, Trace and Tube
Display of multiple molecular models (as used in NMR)
Animate molecular trajectories
Dynamic modification of the color scheme (including color-by-element, color-by-atom-number, color-by-residue-number, color-by-temperature, color-by-occupancy and New: color-by-residue-index)
Dynamic lighting
Adjust atomic radii (including radii-by-temperature and radii-by-occupancy)
Stereo view
User defined clipping plane with rendered sphere/plane intersections
Molecular Surfaces
New: Simultaneously view and independently manipulate an arbitrary number of molecules.

Analysis and Molecular Manipulation

New: Superimpose two molecules (by rigid body rotation and translation) with arbitrary atom selection.
New: Interactively compute RMSD between two molecules (with arbitrary atom selection).
Align all structures in a trajectory against the initial structure
Interactively measure bond lengths, bond angles and torsion angles
Dynamically adjust user selected torsion angles
Display atom labels and coordinate axis
Detect and display hydrogen bonds (using the energetic criterion of Kabsch and Sander). NEW: Intermolecular hydrogen bonds are determined in "real time".

Import Formats

PDB files
Compressed PDB files (using zlib) i.e. *.pdb.gz
Directly query the Protein Data Bank and display the resulting structure
Paste temperature and occupancy PDB fields from the windows clipboard

Output Formats

Generate AVI movies from a molecular trajectory
Print to any Windows supported printer and copy images to the Windows clip board
Export images in BMP, PNG and Postscript (using vector, not raster, output)

http://www.dnastar.com/qmol/



webmaster@freechemical.info