Thank, Eric. Fixed for Jmol 12.1.13 and 12.0.15
By the way, here's an interesting sequence you can use now:
try {
load 1lcd.pdb
} catch(e) {
load =1lcd as 1lcd.pdb
}
On Sat, Sep 18, 2010 at 5:49 AM, Eric Martz <[email protected]>wrote:
> load 1lcd.pdb
> restrict within(5.0, atomno=1030)
> write hoh5.pdb
>
> zap
> load hoh5.pdb
> calculate hbonds # CRASH
>
> -----------------
> hoh5.pdb contains 5 waters with hydrogens, plus one stray hydrogen
> not bonded to anything.
> Removing this stray hydrogen allows "calculate hbonds" to work
> without crashing Jmol.
>
> -Eric
>
>
>
> ------------------------------------------------------------------------------
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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
------------------------------------------------------------------------------
Start uncovering the many advantages of virtual appliances
and start using them to simplify application deployment and
accelerate your shift to cloud computing.
http://p.sf.net/sfu/novell-sfdev2dev
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