Jmol development versions 11.5.8, 11.5.9, and 11.5.10 cannot
save/restore states and should be considered nonfunctional. This is all
fixed in 11.5.11, just released, takes care of this bug as well as a few
others and also adds preliminary support for customizable VDW radii.
Jmol 11.5.11 includes:
# bug fix: save/restore of atom data incorrect when user has set
propertyAtomNumberField or propertyDataField
# bug fix: functions, save/restore state were disabled by bug in 1.5.8
# bug fix: command "test()" where test() is a user-defined function
causes array-out-of-bounds error
# bug fix: undocumented .vdw atom property was equivalent to .valence
# bug fix: GAMESS reading of F orbital order incorrect
new feature: user-settable Van der Waals radius
--------------------------------------------------
Long ago, Jmol 11.2 introduced the capability of defining custom Van der
Waals radii for atoms, but those only affected the production of
isosurfaces. Jmol 11.5.11 adds "SPACEFILL ON" to this list of affected
properties. So, for example, you can use:
{carbon}.vanderwaals = 1.7
spacefill ON
or you can use the DATA statement for multiple atoms at once:
select *;
DATA "property_vanderwaals"
1.7 1.7 1.6 1.3 1.3 1.5
END "property_vanderwaals"
Jmol 11.5.12 will include::
# new feature: three optional defaults for default Van der Waals radii:
#
# set defaultVDW "jmol"
# set defaultVDW "rasmol"
# set defaultVDW "babel"
#
# These settings persist past file loading.
#
# For full state compatibility, these commands should be given prior to
# model loading, as they affect all calculations involving Van der Waals
# radii -- including default zoom.
#
# see src/_documents/vdw_comparison.xls
Bob
-------------------------------------------------------------------------
This SF.net email is sponsored by: Microsoft
Defy all challenges. Microsoft(R) Visual Studio 2008.
http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
