Thanks, Nico, for releasing 12.2.10 and 12.3.10. Here's an update of
features and bug fixes including those for 12.2.9 and 12.3.9. These can now
be checked a http://chemapps.stolaf.edu/jmol/docs/examples-12/new.htm Most
of the new features have to do with creating animations of reaction
mechanisms, which just got a whole lot easier.
# new feature: Application -- press and hold animation next/prev button to
continuously run animation
# new feature: set echo myecho SCALE 0.3 -- for image scaling
# new feature: write PDB adds CONECT records
# -- for all multiple bonding and all HETATM bonds
# -- uses CONECT i j j to indicate multiple bonding
# new feature: FRAME DELAY x.y
# -- specific delay (in seconds) in animation at a given frame
# -- applies to all currently in-frame models
# new feature: _animTimeSec
# -- the overall time expected for an animation to run through once
# -- allows the DELAY command to be used to wait for an animation to
complete or to run a certain number of loops
# new feature: compare {from} {to} FRAME
# -- aligns frames automatically
# -- particularly nice for IRC calculation animations
# -- for example: compare {file=2} {1.1} FRAME
# -- can be followed by quaternion, atom, or SMILES options
# -- for example: compare {file=2} {1.1} FRAME ATOMS @1 @5 @2 @8 @3 @9
# (all of file 2 atoms moved) file 2 atoms 1,2,3 aligned
# with file 1.1 atoms 5,8,9)
# -- if {to} is a subset of {from}, then FRAME is unnecessary,
# and if ATOMS is included, then just the list of alignment
# atoms is necessary. For example:
# compare {*} {1.1}
# compare {*} {1.1} atoms @1 @2 @3
# -- see http://chemapps.stolaf.edu/jmol/docs/examples-12/mp for more
examples
# bug fix: background colors saved to state can be off very slightly
# bug fix: draw PLANE with three vertices not saved correctly in state
# bug fix: delay not allowed within try{...}
# bug fix: script @{x} fails
# bug fix: function call with @x or @1 in parameters fails
# bug fix: x = file("?") fails on Cancel
# bug fix: PNGJ reading remote fails
# bug fix: adding H atoms to mol2 file faulty
# bug fix: load xxx.png;write PNGJ xxx.png (to same file as loaded) fails
# bug fix: lcaoCartoon dual color p orbitals giving white for one lobe
# bug fix: trace for RNA/DNA involving H5T with set showHydrogens FALSE
shows random line
# bug fix: after "ZAP; LOAD append" show orientation will have incorrect
zyz script
# bug fix: set isKiosk should:
# (a) not be reversible
# (b) not allow file saves other than logging
# (c) not allow prompt dialogs
# (d) not allow console or popup menu or ScriptEditor
# bug fix: Molecular Playground should allow for set allowGestures OFF to
disallow swipe
--
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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