Jan, why would we not show the CONECT hbonds on start up? These are defined in
the PDB file same as HYDBND records.
Jan wrote:
Bob Hanson wrote:
Jmol just takes anything listed in the CONECT record as a hydrogen
bond or salt bridge to be an HBOND.
it looks like Jmol 10.00.52 does backbone hbond-calculation and show up
on-load, I would prefer if only the CONECT HYDBNDs are visible after
file-load, that I was pointed to the authors intention to highlight just
this HYDBND
...
the CONECT HYDBNDs,
calculated and added hbonds should show up as they are inserted by the
users script.
I just checked in code which changes hbond behavior. hbonds are now
created with the default bond radius rather than with a default radius of
0.
I'm against hbonds calculation and show up on load pdb file.
There is a problem separating hbond calculation and hbond-display in
RasMolScript, for maximal compatibility
hbond
hbond on
# may start calculation if needed and set default hbond visibility style
connect auto hbond (selected) (selected)
# (within the current selection)
hbond <number>
# may define a display style without starting any calculation.
Regards, Jan
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Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
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