Hydrophobic surface calculation

Juergen Pleiss jpleiss at tebio1.biologie.uni-stuttgart.de
Tue Oct 22 03:33:01 EST 1996


Dear colleagues,

we are searching for a program which calculates the total hydrophobic,
solvent accessible surface of a protein or a small molecule. 
It should read in a PDB file and output the surface area in Angstrom**2,
which is hydrophobic _and_ solvent accessible (hydrophobicity defined by
any of the hydrophobicity scales, solvent defined by a probe radius).
Ideally, the program uses a user editable parameter file, which 
equivalences atom names (as given in the PDB file), VdW radius and 
hydrophobicity index, so that the user can add atoms to it.
I would be glad if you could point me to such a program. 

Thank you for your help,
Juergen Pleiss


================================================================================

Dr.Juergen Pleiss                  
Institute of Technical Biochemistry 
University of Stuttgart          Email:jpleiss at tebio1.biologie.uni-stuttgart.de
Allmandring 31                   Phone:(+49)-711-685-3191
D-70569 Stuttgart, Germany       Fax:  (+49)-711-685-3196
W3 home page:  http://www.itb.uni-stuttgart.de:8080/



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