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Hi all! Thanks to all, for yours
comments. My question was: Somebody know a free program (with sources, if is possible)
to calculate the Surface Area Solvent Accessibility
(SASA)? In
summary the program available for that
are: MSMS
http://www.scripps.edu/sanner GPOL93 VEGA
http://users.unimi.it/~ddl NACCESS http://wolf.bms.umist.ac.uk/naccess/ MolMol Sybyl all
the answers are follow, and thanks again: cheers! ************************ Hi,
I think sybyl will do what you want. huajun *********************** try http://www.scripps.edu/sanner to find
the MSMS program. As I remember, it includes the
source. GOOD
Lucky!!! ********************************** Look for the GEPOL93 code. It is freeware and able to do the things you
want, and more. I found it somewhere on
the web. ************************************** Our program VEGA (http://users.unimi.it/~ddl)
is able to calculate and display SASA and also other molecular surfaces. It
reads a lot of file formats and it runs under several operating
systems. -- ***************************** There
is the program MSMS of Michel Sanner that compute
solvent excluded surface (SES) and that should also compute Solvent Accessible
(SAS). Try also the Vega package. I
do not have the link right now but you should find it easily with a good search
engine. Cheers, --
Fabien
Fontaine Engineer
in Biotechnology Research
Group on Biomedical Informatics, IMIM/UPF Doctor Aiguader,
80 E-08003 Barcelona
(SPAIN) Tel:
(34) 93 221 1009 Ext: 2340 Fax:
(34) 93 221 3237 *********************************
NACCESS http://wolf.bms.umist.ac.uk/naccess/ cheers, Malcolm -- Malcolm
Gillies <malcolm.gillies #*at*#
kemi.dtu.dk> Post-doctoral
researcher Organic
Chemistry, Dept Chemistry, *********************************** Dear
Mr. Gonzalez, there
are several programs to calculate the surface of molecules. A good point to start is Michael Sanners MSMS.The Swiss-PDB Viewer
can calculate the surface of proteins. gOpenMol
can calculate the Connolly surface. Molekel has a
version of MS, which also can calculate Connolly
surfaces. Hope
this helps, ------------------------------------------------- Christoph
Nimptsch Apotheker Pharmazeutisches
Institut Arbeitskreis
Prof. Kovar Universität
Tübingen Auf
der Morgenstelle
8 D-72076
Tuebingen Tel.:
07071/2978794 mailto:christoph.nimptsch #*at*#
uni-tuebingen.de ------------------------------------------------- **************** MolMol
will do it. It has nice graphical interface and source is
provided. Hope
this helps, Mire
Zloh ************************* try
Michel F. SANNER's MSMS: Sanner,
M.F., Spehner, J.-C., and Olson, A.J. (1996) Reduced
surface: an efficient way to compute molecular surfaces. Biopolymers, Vol. 38., (3), 305-320. you
can get #*at*# http://www.scripps.edu/sanner. hope it
helps & best regards felipe ************************** I
recently used SIMS, by Yury N. Vorobjev (Biophysical Journal,73:722-732;
1997); You can get the free source software at: http://femto.med.unc.edu/SIMS/ François
Sampieri ****************************************** Actually, it is in the CCL
archives: http://www.ccl.net/cca/software/SOURCES/FORTRAN/molecular_surface/gepol93/index.shtml -- Marcel
Swart Theoretische Chemie (MSC) / Moleculaire
Dynamica (GBB) Rijksuniversiteit
Groningen Nijenborgh
4 9747 AG The m.swart #*at*# chem.rug.nl ******************************** that’s
all.. ........................................................................................... Danilo Gonzalez-Nilo Faculty of Chemistry and
Biology Casilla 40, Correo 33, |