[Chimera-users] Calculating SAS areas for selected residues for a whole trajectory of structures

Harald Lanig harald.lanig at fau.de
Tue Sep 24 07:31:13 PDT 2013


Dear Chimera users,

I am currently using chimera to calculate the solvent accessible surface 
for several selected residues of a single structure (I am using the 
Attribute calculator with the formula sum(atom.areaSAS) to do this).

Is there a way to apply this to a set of structures coming from a 
molecular dynamics trajectory? I am interested in how the solvent 
accessible surface of a set of residues changes during the simulation.

Any hint is highly appreciated!

Best wishes,
-Harald
-- 
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  PD Dr. Harald Lanig         Universitaet Erlangen/Nuernberg
  Computer-Chemie-Centrum     Naegelsbachstr. 25, D-91052 Erlangen

  Phone +49(0)9131-85 26525   harald DOT lanig AT fau.de
  Fax   +49(0)9131-85 26565   http://www.chemie.uni-erlangen.de/lanig
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