Dear Richard, Let me see if I got it right. What I need is "set solventProbe 1.4; isosurface sasurface", which is also equivalent to "isosurface sasurface 1.4". But while that works for larger molecules, it doesn't work for the water molecule.
You mentioned in a previous reply that "That's a bug when the number of vertices is 0. That's fixed, but for now just don't do that." I just updated jmol to the latest svn version (rev. 17329) and for water "sasurface 1.4; show isosurface" doesn't freeze the GUI any longer, but the surface is still not there. Are there any plans to make sasurface work for very small molecules in the near future? As for PQR, I'm using the GAFF force field, and I'm not getting any zero radii so far. But how can I load the pqr file? I tried "load 'pqr::drgfin_GMX.pqr'", but the molecule just disappears when I do that. Thanks, Daniel ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
