Revision: 21575 http://sourceforge.net/p/jmol/code/21575 Author: hansonr Date: 2017-04-29 19:09:27 +0000 (Sat, 29 Apr 2017) Log Message: ----------- Jmol.___JmolVersion="14.15.2" // 4/29/17
bug fix: CIP chirality adds axial chirality (M/P[Ra/Sa], m/p[ra/sa]) for cumulenes bug fix: CIP chirality adds atropisomer chirality (M/P[Ra/Sa], m/p[ra/sa]) for biaryls bug fix: CIP chirality adds cumulene E/Z chirality -- 816 lines -- validation data are at https://sourceforge.net/p/jmol/code/HEAD/tree/trunk/Jmol-datafiles/cip/ -- validates for 160 structures (some duplicates; both cip_examples.zip and stereo_test_cases.sdf) -- validates for all cases considered: -- simple R/S and E/Z -- small-ring removal of E/Z -- parallel-strand Rule 4b and Rule 5 (Mata) -- pseudochiral r/s and m/p -- odd and even cumulenes -- atropisomers -- P, S, As, Se, Sb, Te, Bi, Po trigonal pyramidal and tetrahedral -- imine and diazine E/Z chirality Modified Paths: -------------- trunk/Jmol/src/org/jmol/viewer/Jmol.properties Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties =================================================================== --- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2017-04-29 19:00:44 UTC (rev 21574) +++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2017-04-29 19:09:27 UTC (rev 21575) @@ -64,6 +64,8 @@ -- pseudochiral r/s and m/p -- odd and even cumulenes -- atropisomers + -- P, S, As, Se, Sb, Te, Bi, Po trigonal pyramidal and tetrahedral + -- imine and diazine E/Z chirality JmolVersion="14.15.1" // 4/28/17 This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ Jmol-commits mailing list Jmol-commits@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-commits