new Jmol 11.4 capabilities

Jmol 11.4 includes over 70 new features since Jmol 11.2, including:

%l -- element (atomic) number
****Jmol Embedded Script**** in comments (/* ... */)
****Jmol Embedded Script**** in super-comments (/** ... **/)
.type math function
\ marks continuation lines in scripts
_1 parameter for "first atom" in CONNECT
_slabPlane and _depthPlane
adjustable scale for unit cell
antialiasing in Jmol
automatic calculation of alternating single/double aromatic bonds
calculate surfaceDistance FROM or WITHIN
color [object] property [property] "schemename" range [min] [max]
colors in Jmol math
connect aromatic auto
customizable menus
direct string replacement in atom expressions
draw object title lines specific for models
expanded "within" capability
export of VRML
extended bond orders
extended boundbox command
extended show boundbox command
frame titles
getproperty stateinfo TYPE
gOpenMol formated plt files for isosurfaces
helixes as barrels, not rockets
if/while/for capability
inline SCRIPT command
isosurface CAP
isosurface mapping of MEP and MO data onto planes
isosurface SQUARED
Jmol math .boundbox qualifier
Jmol math getProperty() function
jmolLoadInlineArray([line1, line2, ....])
jmolLoadInlineArray([model1, model2, ....])
load symmetry range
local/global functions (applet)
Mac Spartan06 DIRECTORY reading
model-based parallel array calculations
model-specific echos
MOLDEN reader
POV-Ray EXPORT (application only)
programmatic color definition
quaternion command
ramachandran command
reading models from ZIP files
reading text-based content of ZIP and JAR files
Remdiated PDB support
select within(x.x,"plane",$plane)
set ?
set atom properties directly using Jmol math
set atom properties with an array
set drawPicking
set isosurfacePropertySmoothing ON/OFF
set wireframeRotation
Settable atom colors using Jmol math
show FRAME option
show spacegroup "X,Y,Z;-X,Y,Z;..."
Spherical Basis Set Molecular Orbitals
support for prime in nmes
support for SITE records in PDB and CIF
sychronize command
user-defined macros, subroutines, and functions capability
VALENCE property
WebExport (application)
write FILE (applet)
write FILE [filename] (application)


Posted by Bob Hanson 2007-12-30

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