Several bug fixes in what Nico just released:
versions 12.0.9 and 12.1.7
# bug fix: isosurface atomicOrbital not scaling well
# bug fix: undo and smilesurlformat tokens missing
# bug fix: isosurface ... map SQUARED ... nonfunctional
# bug fix: exit, quit are stopping spinning -- should just be stopping
moveTo
# unless !exit or !quit.
# bug fix: associative array problems with some auxiliaryInfo data saving to
state
# bug fix: binary map files within zip directories cannot be read
# bug fix: mouse-based slab does not refresh
# bug fix: JME reader misreading "Br+"
# bug fix: Writing PDB file with residue number > 9999 trashes file. Now
writes "0000" "0001" etc.
version 12.1.7 adds
# new feature: load SMILES to use
http://cactus.nci.nih.gov/chemical/structure/..../file?format=sdf&get3d=True
# new feature: zSlab, zDepth -- default 0,0 meaning "use slab and depth"
settings
# new feature: slab and depth are variables and can be read and set as for
any other
# new feature: Vasp reader shows enthalpy and Gibbs energy in model name
# new feature: getProperty can drill down a list for a hashtable entry:
# print getProperty("shapeInfo.isosurface.id")
# s2
# isosurface1
--
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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