Enc: Re: [gmx-users] Hydrophobic interactions

[ehab at biof.ufrj.br]

About hydrophobic interactions from Xavier Periole 
<Xavier.Periole at physbio.mssm.edu> -----
    Data: Thu, 17 Oct 2002 05:11:45 -0400
      De: Xavier Periole <Xavier.Periole at physbio.mssm.edu>
Reponder para: Xavier Periole <Xavier.Periole at physbio.mssm.edu>
 Assunto: Re: [gmx-users] Hydrophobic interactions
    Para: ehab at biof.ufrj.br

For protein-ligand interactions the software called ligplot is very
useful.
It gives you as output a postscript (color) file picturing the ligand
and all the interactions (H-bonds or hydrophobic contact) it found
between a ligand and a protein. It is extremely easy to use and the
software is free.

You can get ligplot at the website :
http://www.biochem.ucl.ac.uk/bsm/ligplot/ligplot.html

You can also get a list of atoms within a certain distance from a chosen
set of atoms using a common software of visualization like rasmol,
insight, ....

Best
Xavier

---------------------
Xavier Periole
Physiology and Biophysics Department
Mount Sinai School of Medicine
New york, 10029 NY


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