AtVolAtVol is a tool that performs atomic volume calculations. | |
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- License:
- GPL
- Price:
- FREE
- Publisher Name:
- Kinemage
- Publisher web site:
- http://kinemage.biochem.duke.edu/software/utilities.php
AtVol Tags
AtVol Description
AtVol is a tool that performs atomic volume calculations. 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.volumesThe 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.
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