Curie Bioinformatics Server

GETAREA

Calculation of Solvent Accessible Surface Areas, Atomic Solvation Energies and Their Gradients for Macromolecules

Surendra Negi, Hongyao Zhu, Robert Fraczkiewicz, Werner Braun  ·  Sealy Center for Structural Biology, UTMB, 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].

Submit a Structure

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

Advanced options — Atomic radii and solvation parameters
Advanced options — Default library for protein atom types

Batch Processing

Download Getarea_Remote.pl to submit multiple PDB files via script. Use a delay of 10 seconds between submissions for batch processing.

References

  1. 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.
  2. HTML version: Web Archive
  3. von Freyberg B., Richmond T.J. and Braun W. J. Mol. Biol. 233(2):275–292, 1993.
  4. von Freyberg B. and Braun W. J. Comp. Chem. 14(5):510–521, 1993.
  5. Fraczkiewicz R. and Braun W. presented at the Third Electronic Computational Chemistry Conference, 1996.

Disclaimer

This service is provided freely to the scientific community for the purpose of scientific research. There is no warranty for the service, either expressed or implied. The entire risk as to the quality and performance of the service is with the user. In no event will the Sealy Center for Structural Biology be liable for any damages, including any general, special, or consequential damages arising out of the use, misuse, or inability to use this service.