Dear John
You can look at Molspace (
http://compbiochem.org/Software/molspace/Home.html ).
This VMD plug-in can compute the residues surface and cavities volume.
Best regards
.....................................................................................................................................................
Bruno L. Oliveira
Radiopharmaceutical Sciences Group
Chemistry Department , ITN
http://www.itn.pt/sec/qui/qir/uk_qir_index.htm
http://www.boliveira.com
________________________________________
De: Beale, John [John.Beale.stlcop.edu]
Enviado: terça-feira, 6 de Março de 2012 11:08
Para: amber.ambermd.org
Assunto: [AMBER] SASA Plot
I need to compute and plot the SASA on a per-residue basis for my peptide. Can someone provide me with a method for doing this?
Thanks!
John
John M. Beale, Jr., Ph.D.
Professor of Medicinal Chemistry and Pharmacognosy
Saint Louis College of Pharmacy
Department of Neurology, Washington University School of Medicine
Office: 314-446-8461
Cell: 314-315-0409
FAX: 314-446-8460
John.Beale.stlcop.edu<mailto:John.Beale.stlcop.edu>
bealej.neuro.wustl.edu<mailto:bealej.neuro.wustl.edu>
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Received on Tue Mar 06 2012 - 07:30:02 PST
