indicates atropisomerism (bond chirality in biaryl systems) New feature: Jmol SMILES bond atropisomerism ^nm- and ^^nm. NCI "" broken (in 14.5.2)īug fix: plane definitions totally messed up in 14.31.26īug fix: load ? outside of function duplicates next commandsīug fix: (JS) Safari 14 not downloading files using DataURIīug fix: FileDropper does not recognize. New feature: Allow replacement of PNG data in PNGJīug fix: isosourface MOLECULAR and SASURFACE should never drop below 1.5/(probe radius)īug fix: (second release) getProperty("isosurfaceData") brokenīug fix: isosurface. is presentĪdds MoldenReader ANGS and MOPAC options (zeta in 1/Angs apply MOPAC scaling)īug fix: NBO type change not saved in stateīug fix: NBO auxiliary files (output.36, output.46, etc.) not saved in PNGJ,JMOL,ZIP files forces using MOPAC slaters rather than gaussian contraction when g.c. note that GAMESS uses only s and p orbitals for the MOPAC option # TODO: isosurface cavity delivers nonsense volume due to unclosed surfaceĪdds GamessReader MOPAC parameters from F90 files provided by Jimmy Stewart for MO reading
# NOTE: This is the older, non-SwingJS, version of Jmol. Run jmol build.xml (including dist, which also initiates a release now) # not the new one, since this is a property file. # previous release failure to do remove this line will use the original release number, line and remove "Jmol._" from the line for the # The distinction between major and minor is arbitrary. # 14.8.10 15.1.1 new features - major version level (tag for Maven, create branch) # 14.8.10 14.9.1 new features - minor version level (tag for Maven, create branch) This should be done as in the following examples,
#Jmol rule 50 full#
# A full Jmol/JSpecView/JSmol release requires the following: # important for the JavaScript version of Jmol. # The quotes above look odd for a parameter file, but they are # the information saved in the JAR version of this file. # Don't use Jmol._ in your text, as that is the key for stripping out # add it on a line below the "Jmol._JmolVersion=." line.
# Developers: to add a description of changes you have made, # NOTE - developement is moving to GitHub. # THIS IS THE TRUNK - for development and release Jmol._fullJmolProperties="src/org/jmol/viewer/Jmol.properties"