[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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