* Jmol-14.16.1-binary.zip (69.8 MB)
<https://sourceforge.net/projects/jmol/files/latest/download?source=files>
*Just
two items here -
- new load command option for ChEBI. These structures are all 2D drawings
(hashes and wedges), but they can be loaded with automatic 2D->3D
conversion.
- Cahn-Ingold-Prelog stereochemistry determination adds axial helicene M/P
chirality
Jmol.___JmolVersion="14.16.1" // 2017.05.19
new feature: load =chebi/nnnnnn chEBI 2D molecule load, with minimal
100-step minimization
bug fix: CML reader does not read 2D wedge/hash information
bug fix: CIP fix for missing branch descriptors; 984 lines
bug fix: CIP adds helicene M/P chirality
- validated using CCDC structures HEXHEL02 HEXHEL03 HEXHEL04 ODAGOS ODAHAF
- http://pubs.rsc.org/en/content/articlehtml/2017/CP/C6CP07552E
code: CIP: additional simplification;
code: CIP status: implementation complete, including:
All subrules implemented fully: 1a, 1b, 2, 3, 4a, 4b, 4c, 5
R/S, E/Z, M/P (odd-cumulene and helicene), r/s, seqCis/seqTrans
(as Z/E)
fused benzenoid aromatic Mancude ring "Kekule weighted" atom
number adjustments
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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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