From: <ha...@us...> - 2010-12-18 19:16:47
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Revision: 14827 http://jmol.svn.sourceforge.net/jmol/?rev=14827&view=rev Author: hansonr Date: 2010-12-18 19:16:39 +0000 (Sat, 18 Dec 2010) Log Message: ----------- 12.1.26 VERSION # new feature: write SDF creates multi-model SDfile based on models of selected atoms # new feature: write V3000 creates V3000 file; see http://www.symyx.com/downloads/public/ctfile/ctfile.pdf # new feature: the list of languages in the popup menu # -- is ordered by language code # -- displays each language name both in the current language and in the native language # -- is updated adding a new language if this is chosen via script (or maybe by the OS default) # new feature: plane(pt1, pt2) -- returns bisecting plane # new feature: draw SLAB $draw1 PLANE @{plane({...} {....})} # -- clips a drawn polygon based on a plane # -- $draw1 must be a draw POLYGON definition # -- draw draw1 SLAB $draw1... is allowed # -- for example: # draw p4 polygon 4 {1 2 3} {2 3 4} {4 5 6} {7 8 9} 2 [0 1 2 0] [2 3 0 0] # draw p4 slab $p4 PLANE @{plane({0 0 0}, {10 0 0})} # new feature: measure list -- same as show measurements # bug fix: GenNBO reader does not read MOs properly # bug fix: GenNBO reader does not read UHF data # bug fix: GenNBO reader does not read xxx.31 file P orbitals not in X Y Z order # bug fix: applying unit cell in LOAD command to XYZ file containing multiple models # does not convert later model coordinates to fractional ones. # bug fix: Web Export and write xx.jmol fail for load XXX:: forcing file type # bug fix: write MOL creates V2000 file # bug fix: over-run of SDF, MOL/V2000 reports error # bug fix: assigning array elements using x[i] = pt, where pt is a # variable that is a cartsian point or a plane does not copy variable # bug fix: SMILES generator in certain cases may not return stereochem (c-C(OH)(H)-c) # bug fix: mistyped command such as measure LIST (with LIST present) crashes Jmol # bug fix: pop-up menu after zap 1.1 in set of two models crashes Jmol # code: V3000Reader integrated into MolReader # code: JUnit test for file reading GenNBO and CIF files lacks viewer object Modified Paths: -------------- trunk/Jmol/src/org/jmol/adapter/smarter/Resolver.java trunk/Jmol/src/org/jmol/viewer/Jmol.properties Modified: trunk/Jmol/src/org/jmol/adapter/smarter/Resolver.java =================================================================== --- trunk/Jmol/src/org/jmol/adapter/smarter/Resolver.java 2010-12-18 19:14:35 UTC (rev 14826) +++ trunk/Jmol/src/org/jmol/adapter/smarter/Resolver.java 2010-12-18 19:16:39 UTC (rev 14827) @@ -536,7 +536,7 @@ private final static int SPECIAL_JME = 0; private final static int SPECIAL_MOPACGRAPHF = 1; - private final static int SPECIAL_V3000 = 2; // implemented in MOL +// private final static int SPECIAL_V3000 = 2; // implemented in MOL private final static int SPECIAL_ODYSSEY = 3; private final static int SPECIAL_MOL = 4; private final static int SPECIAL_XYZ = 5; Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties =================================================================== --- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2010-12-18 19:14:35 UTC (rev 14826) +++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2010-12-18 19:16:39 UTC (rev 14827) @@ -1,24 +1,14 @@ # Developers: to add a description of changes you have made, # add it on a line starting with # below the "version=..." line -version=12.1.26_dev +version=12.1.26 -# new feature: over-run of SDF, MOL/V2000 reports error # new feature: write SDF creates multi-model SDfile based on models of selected atoms -# new feature: write MOL creates V2000 file -# new feature: write SDF creates SDfile # new feature: write V3000 creates V3000 file; see http://www.symyx.com/downloads/public/ctfile/ctfile.pdf -# interface improvement: the list of languages in the popup menu +# new feature: the list of languages in the popup menu # -- is ordered by language code # -- displays each language name both in the current language and in the native language # -- is updated adding a new language if this is chosen via script (or maybe by the OS default) -# bug fix: Web Export and write xx.jmol fail for load XXX:: forcing file type -# code: JUnit test for file reading GenNBO and CIF files lacks viewer object -# bug fix: GenNBO reader does not read MOs properly -# bug fix: GenNBO reader does not read UHF data -# bug fix: GenNBO reader does not read xxx.31 file P orbitals not in X Y Z order -# bug fix: applying unit cell in LOAD command to XYZ file containing multiple models -# does not convert later model coordinates to fractional ones. # new feature: plane(pt1, pt2) -- returns bisecting plane # new feature: draw SLAB $draw1 PLANE @{plane({...} {....})} # -- clips a drawn polygon based on a plane @@ -28,13 +18,23 @@ # draw p4 polygon 4 {1 2 3} {2 3 4} {4 5 6} {7 8 9} 2 [0 1 2 0] [2 3 0 0] # draw p4 slab $p4 PLANE @{plane({0 0 0}, {10 0 0})} # new feature: measure list -- same as show measurements - +# bug fix: GenNBO reader does not read MOs properly +# bug fix: GenNBO reader does not read UHF data +# bug fix: GenNBO reader does not read xxx.31 file P orbitals not in X Y Z order +# bug fix: applying unit cell in LOAD command to XYZ file containing multiple models +# does not convert later model coordinates to fractional ones. +# bug fix: Web Export and write xx.jmol fail for load XXX:: forcing file type +# bug fix: write MOL creates V2000 file +# bug fix: over-run of SDF, MOL/V2000 reports error # bug fix: assigning array elements using x[i] = pt, where pt is a # variable that is a cartsian point or a plane does not copy variable # bug fix: SMILES generator in certain cases may not return stereochem (c-C(OH)(H)-c) # bug fix: mistyped command such as measure LIST (with LIST present) crashes Jmol # bug fix: pop-up menu after zap 1.1 in set of two models crashes Jmol +# code: V3000Reader integrated into MolReader +# code: JUnit test for file reading GenNBO and CIF files lacks viewer object + # -------------------------------------------------------------- #version=12.1.25 This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |