Bob:
Thanks for your rapid response. Will try jvxl and 14.15.2
Fred
> On Apr 29, 2017, at 4:11 PM, Robert Hanson <hans...@stolaf.edu> wrote:
>
> Fred,
>
> I had no problems with this in just-released 14.15.2:
>
> $ isosurface ch3cl-density.cub.gz map ch3cl-esp.cub.gz
> $ write isosurface t.jvxl
>
> reading isosurface data from c:/jmol-dev/bobtest/ch3cl-density.cub.gz
> reading isosurface data from c:/jmol-dev/bobtest/ch3cl-esp.cub.gz
> isosurface1 created with cutoff=0.02 min=0.0 max=1.35334; isosurface count: 1
> isosurface full data range -0.007748252 to 10.191908 with color scheme
> spanning -0.007748252 to 10.191908
> 1 id:isosurface1; model:0.0; vertices:1982; polygons:3960; visible:true;
> dataRange:[-0.007748252, 10.191908, -0.007748252, 10.191908];
> title:isosurface ch3cl-density.cub.gz map ch3cl-esp.cub.gz;
>
> <jvxlSurfaceInfo
> isModelConnected="false"
> cutoff="0.02"
> isCutoffAbsolute="false"
> pointsPerAngstrom="5.6691847"
> nBytesData="6620"
> isXLowToHigh="true"
> nSurfaceInts="612"
> nBytesUncompressedEdgeData="1981"
> nBytesUncompressedColorData="3964"
> precisionColor="true"
> colorMapped="true"
> color="[x5020a0]"
> translucency="0.0"
> colorScheme="roygb"
> rendering="fill noMesh noDots notFrontOnly frontlit"
> dataMinimum="-0.007748252"
> dataMaximum="10.191908"
> valueMappedToRed="-0.007748252"
> valueMappedToBlue="10.191908"
> note="progressive JVXL+ -- X values read from low(0) to high(49)"
> xyzMin="{-1.5917101 -1.3869982 -2.2582495}"
> xyzMax="{1.5907205 1.6996462 1.9228424}"
> approximateCompressionRatio="not calculated"
> jmolVersion="Jmol 14.15.2 2017-04-29 14:09">
> </jvxlSurfaceInfo>
>
> OK XJVXL 7884 c:/jmol-dev/bobtest/t.jvxl
> $ zap
> $ isosurface t.jvxl
> reading isosurface data from c:/jmol-dev/bobtest/t.jvxl
> isosurface1 created with cutoff=0.020000001; isosurface count: 1
> isosurface full data range -0.007748252 to 10.191908 with color scheme
> spanning -0.007748252 to 10.191908
> 1 id:isosurface1; model:0.0; vertices:1982; polygons:3960; visible:true;
> dataRange:[-0.007748252, 10.191908, -0.007748252, 10.191908];
> title:isosurface t.jvxl;
>
> $
>
>
>
> You released 14.15.1, we installed it (not online), along with esomeprazole
> (chiral S). Configuration shows up but no double bonds when installed under
> EZ or EZ and RS groups. We are working on it. Any thoughts?
>
> Some aspects of chirality were broken in 14.15.1. I think. See most recent at
> https://sourceforge.net/projects/jmol/files/Jmol/Version%2014.15/Jmol%2014.15.2/
>
> <https://sourceforge.net/projects/jmol/files/Jmol/Version%2014.15/Jmol%2014.15.2/>
>
>
> Fred
>
> PS: This message precedes “follow-up”.
>
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>
>
> --
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr <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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