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From: Angel H. <ang...@ua...> - 2025-07-08 15:39:36
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Dear Bob, we found a very strange behaviour with JSmol (16.3.5, 16.3.19)
We have a web page, using WebGL modality (I don't expect that to be
relevant, but...)
The conflicting file is SDF format, prepared with some other sofware by
a colleague but saved to file using Jmol (Jmol-16.0429252053). It has
two bonds with type 8 ("other" according to MOL documentation). Jmol
application renders them as partial bonds (dashed); this is what we
want. CORRECT
However, when loaded in JSmol using code in the page, the bonds display
as solid single bonds. INCORRECT
When the file is dragged and dropped onto JSmol, they are displayed as
dashed. CORRECT
We tried forcing the partial bonds using a script in line 3 of the file
(either leaving bond type 8 or changing to 1).
jmolscript:connect (@4)(@5,@6) partial
The command works in Jmol but again fails in JSmol when the modified
file is loaded via page code.
Magic: as soon as I open the console from the popup menu, the bonds are
instantly displayed as dashed.
Any idea what is going on?
Attached prueba0.sdf is the original with bonds type 8, prueba1.sdf with
bonds type 1 and script in 3rd line.
I can share the webpage privately if needed.
Thanks
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Dr. Angel Herráez
Biochemistry and Molecular Biology,
Dept. of Systems Biology, University of Alcalá
E-28805 Alcalá de Henares (Madrid), Spain
https://biomodel.uah.es/
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