AtVol 1.2.990412

AtVol is a tool that performs atomic volume calculations.
AtVol
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AtVol is a tool that performs atomic volume calculations by separating each atom from neighboring atoms where their van der Waals spheres join and performing Monte Carlo integration to estimate the volume.

Example:

atvol -bonded -seed1372731 hisH > hisH.volumes

The bonded flag makes Atvol consider only directly bonded neighbors. A random seed should be supplied. The radii used are the same as found in Probe but can be controlled directly with a flag which substitutes the number in the B-value column of the input PDB file.

last updated on:
May 7th, 2008, 13:02 GMT
price:
FREE!
homepage:
kinemage.biochem.duke.edu
license type:
GPL (GNU General Public License) 
developed by:
Kinemage
category:
ROOT \ Science and Engineering \ Bioinformatics
AtVol
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