Thank you, Nico, for releaseing Jmol 11.7.31. This release includes a bunch
of minor bug fixes and a few new features.
new features:
# new feature: MO no longer restricted to one per model set; rather, one per
MODEL
# new feature: MO command operates on all models in current frame set:
# for instance:
# load t.spardir
# frame *; MO HOMO
# animation on
# will generate highest-occupied MO for all models and run through them
quickly
# This allows for animation of molecular orbitals along a reaction pathway
[You do not have to use frame * -- you can select specific MOs from specific
frames if you wish by simply going to that frame and issuing an MO command
there.]
# new feature: frame ALIGN {atoms} -- aligns frames around designated atoms
in each frame
# for example: frame ALIGN {C2} -- align each frame on C2/n where n is a
frame number
# for example: frame ALIGN {*} -- align all frames on center for that frame
# new feature: Spartan MO-Animation files can be read
# new feature: Spartan zip directories xxx.spardir.zip containing directory
xxx.spardir can be read
# new feature: Spartan reader now reads all models in an energy profile
bug fixes:
# bug fix: automatic adjustment for 5D (spherical) orbitals, especially for
Spartan Smol reader
# bug fix -- animation/spin while script is rendering can cause Exception
# in general, one needs to use
# set refreshing FALSE
# ...
# set refreshing TRUE
# around code that might be running and deleting atoms or bonds while some
other
# process is rendering
# bug fix -- trajectories with files having bonds can be a problem
# bug fix -- animation/spinning while connections are being made can cause
exception
# bug fix: antialiasdisplay with MO does not show correct font size.
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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