>  I would like to select surface residues via the surface calculation algorithm of Pymol.  Is this possible?

 

Not at present.

 

> What is the surface calculation algorithm that Pymol use and is it scattered among many source-code files or is it contained in just one source-code file?

 

It uses a brute-force approach based on VDW spheres of surface atoms and hypothetical waters-in-contact.  It is spread over multiple source files, but RepSurface.c has the top-level code.

 

Cheers,

Warren

 


From: QT [mailto:rdirective@gmail.com]
Sent: Thursday, January 29, 2009 8:57 PM
To: PyMOL-users@lists.sourceforge.net
Subject: [PyMOL] Surface Residues

 

Dear all,

Once again, I need some help from pymol experts.  I would like to select surface residues via the surface calculation algorithm of Pymol.  Is this possible?  What is the surface calculation algorithm that Pymol use and is it scattered among many source-code files or is it contained in just one source-code file?

Thanks in advance.
Best,
Quyen