Thanks Robert, it works fine!
Best.
Arturo Manzo-Fontes, Ph.D.
COO
*Spleißen Wege Bio, S. de R.L. de C.V.*
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Gracias.
2017-04-20 10:47 GMT-05:00 Robert Hanson <hans...@stolaf.edu>:
> OK - this is better: Looking for the latest version? * Download
> Jmol-14.14.1-binary.zip (69.7 MB)
> <https://sourceforge.net/projects/jmol/files/latest/download?source=files> *
>
> On Wed, Apr 19, 2017 at 11:35 PM, Robert Hanson <hans...@stolaf.edu>
> wrote:
>
>> hmm. something is missing there. I had to delete that and will upload
>> again.
>>
>> On Wed, Apr 19, 2017 at 11:28 PM, Robert Hanson <hans...@stolaf.edu>
>> wrote:
>>
>>> Jmol.___JmolVersion="14.14.1" // released 4/19/17
>>>
>>> new feature: CALCULATE CHIRALITY {atom set}
>>> -- starts with basic CIP Rule 1-2 determination of R/S and E/Z.
>>> -- continues with Rules 3-5, which require full-molecule analysis.
>>> -- work in progress:
>>> -- Rules 1 and 2 complete
>>> -- Rule 3 (E/Z) implemented
>>> -- Rule 4 partially implemented
>>> -- simple linear sequences of R/S ok
>>> -- Rule 5 not implemented
>>> -- caveates
>>> -- no pseudochirality
>>> -- not cyclitols
>>> -- does not distinguish rings, so inserts "Z" into ring bonds
>>> -- only validated on
>>>
>>> -- optionally limited to the given atom set (or the currently selected
>>> atoms by default)
>>>
>>> new feature: set jmolInJSpecView
>>> -- allows Jmol window to NOT be embedded in JSpecView when JSpecView
>>> is opened in Jmol
>>> -- default TRUE
>>>
>>> new feature: WRITE ISOSURFACE "t.pmesh"; WRITE ISOSURFACE "t.pmb"
>>> -- creates ASCII (.pmesh) or binary (.pmb) file (a Jmol-specific file
>>> format)
>>> -- relatively compact format
>>> -- can speed up loading of meshes and contours
>>> -- for filled surfaces, use .jvxl instead
>>> -- read back into Jmol using ISOSURFACE "t.pmesh"/"t.pmb"
>>> -- note that binary files are NOT RECOMMENDED for JSmol because some
>>> platforms cannot read them locally
>>> -- example:
>>>
>>> load $methane
>>> isosurface plane {0 0 0 1} map vdw contours 20
>>> write ISOSURFACE contour.pmb
>>> isosurface contour.pmb
>>>
>>>
>>> bug fix: mesh capper producing gaps
>>> bug fix: CIP chirality fixed for rule ordering; validated for IUPAC
>>> Rules 1, 2, and 3 (though still some questions about Rule 3)
>>> bug fix: print getProperty("cifinfo") without file name fails
>>>
>>>
>>>
>>>
>>> --
>>> 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
>>>
>>>
>>
>>
>> --
>> 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
>>
>>
>
>
> --
> 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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