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Hi,
you can also use a tool chain composed by:
* 'pdb2xyzr' -> to convert pdb to a point(x,y,z) + radius notation, used
later by msms.
* 'msms' -> to calculate the surface. Can make surfaces using different
solvent probe radius.
* 'assign_parse_radch.pl' -> small perl script distributed as part of
Don Bashford's 'mead' suite, to parse atoms and assign charge and radius.
* 'potential' -> from mead suite. Don't know what's this for... ;-)
* 'dino' -> to display the results.
You can access a small tutorial at: http://www.dino3d.org/tutorials/?p=esp
Any questions are welcome, of course.
Best regards,
Jon Agirre
--
********************************
Jon Agirre Hernández
Unidad de Biofisica (CSIC-UPV/EHU)
P.O.Box 644, E-48080 Bilbao, Spain.
Blog: http://lostsymmetry.blogspot.com
Web: http://www.ehu.es/biofisica
E-mail: [EMAIL PROTECTED]
Tel: +34 94 601 3345
Fax: +34 94 601 3360
