Hello –

 

Unfortunately, APBS does not currently support this feature.  The maps you are attempting to write with the “write” command are volumetric representations of 3D functions that describe accessibility to solvent, etc.

 

Can you say a bit more about why you want this feature?  We should be able to add it at some point.

 

Thanks,

 

__________________________________________________
Nathan Baker
Pacific Northwest National Laboratory
Tel:  509-375-3997
http://kdi.pnl.gov/bios/baker.stm

 

From: dalit.shental@weizmann.ac.il [mailto:dalit.shental@weizmann.ac.il]
Sent: Sunday, October 09, 2011 6:05 AM
To: apbs-users@googlegroups.com
Subject: [apbs-users] Solvent accessible surface area

 

Hi All,
Is there a way to get the water accessible surface area of each atom in a text format?
I tried :
write sol flat FileName

I got only 0 or 1, nothing in the range.
the dx file was also 0 or 1.
Is there an example for how using this write option?
Thank you,
Dalit.