GETAREA

Surendra Negi, Hongyao Zhu, Robert Fraczkiewicz, Werner Braun
Sealy Center for Structural Biology, University of Texas Medical Branch, Galveston, TX 77555

Quite often a biomolecular researcher wants to quickly calculate solvent accessible surface area or solvation energy of a protein molecule. GETAREA can be directly accessed through this form. An on-line manual is available. Atomic coordinates should be supplied in PDB format. Please cite reference [1] in publications that use our service. Comments: [email protected], [email protected].

Select your PDB file:

Radius of the water probe (Å):

Do you want gradient in calculations:

Email Address (optional):

Select desired level of output:

If using a batch file, use a delay of 10 sec.

Advanced Options: Atomic radii and solvation parameters

Advanced Options: Default library for protein atom types

Using multiple pdb files

Download Getarea_Remote.pl to submit multiple PDB files. Use a delay of 10 sec for batch processing.

Disclaimer

This service is provided freely to the scientific community. The authors are not responsible for misuse of the data.

References

Fraczkiewicz, R. and Braun, W. (1998) "Exact and Efficient Analytical Calculation of the Accessible Surface Areas and Their Gradients for Macromolecules" J. Comp. Chem., 19, 319-333.
HTML version: Web Archive
von Freyberg, B., Richmond, T.J. and Braun, W. J. Mol. Biol. 233(2):275-292, 1993.
von Freyberg, B. and Braun, W. J. Comp. Chem. 14(5):510-521, 1993.
Fraczkiewicz, R. and Braun, W. presented at the Third Electronic Computational Chemistry Conference, 1996.