[Jmol-developers] Fwd: Van der Waal radii -- fixed (?) -- comments welcome -- proposed defaults change

2010-01-10 Thread Robert Hanson
[resending this -- attachments were too large] Jmol Developers, -- Eric, Miguel, Jonathan, Egon, Angel, Rolf and others - I need some feedback here. I think I finally fixed a long-standing bug/feature in Jmol. But I'm open to suggestions if you think I have gone too far in that it WILL change

Re: [Jmol-developers] Fwd: Van der Waal radii -- fixed (?) -- comments welcome -- proposed defaults change

2010-01-10 Thread Angel Herráez
(We're talking Jmol 11.10 here, not a fix in 11.8) As an aside, this is maybe an occasion to make it 12.0 -- that will simplify explanations of the different behaviour (if you have Jmol 12 is easier than if you have 11.10 or later). Anyhow, there's already many new features to justify a new

Re: [Jmol-developers] Fwd: Van der Waal radii -- fixed (?) -- comments welcome -- proposed defaults change

2010-01-10 Thread Jonathan Gutow
I agree with Angel's comments below except that I think the auto feature is a good idea. It may be a little strange to handle different files differently, but pdb files without H's would give a strange idea of the molecule size if you use the new BABEL settings instead of the JMOL (which