[Jmol-developers] [ jmol-Bugs-1297760 ] ssbonds on/off

2005-09-21 Thread SourceForge.net
Bugs item #1297760, was opened at 2005-09-21 07:06
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Category: Scripting
Group: None
Status: Open
Resolution: None
Priority: 5
Submitted By: Nobody/Anonymous (nobody)
Assigned to: Miguel (migueljmol)
Summary: ssbonds on/off

Initial Comment:
Maybe I mentioned this already, but 

SSBONDS OFF

does not work until an 

SSBONDS ON

command is given, even though the disulfide bonds are
displayed by default.

Bob Hanson


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[Jmol-developers] [ jmol-Bugs-1297762 ] set radius ?

2005-09-21 Thread SourceForge.net
Bugs item #1297762, was opened at 2005-09-21 07:08
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Category: None
Group: None
Status: Open
Resolution: None
Priority: 5
Submitted By: Nobody/Anonymous (nobody)
Assigned to: Nobody/Anonymous (nobody)
Summary: set radius ?

Initial Comment:
set radius n.m 

does not work. I believe this was supposed to be a
replacement for 

set solvent n.m

which (as previously noted) does not work either. 

I would prefer if "set radius" were correct.

Bob Hanson


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[Jmol-developers] Re: color (what else)? set radius

2005-09-21 Thread Miguel

> In Eval.java there is
>
> set radius (decimal number)
>
> and I thought before this was
>
> set solvent (decimal number)
>
> But I can't get either of those to work. How does one set the solvent
> probe
> radius for DOTS?

Well, it is not easy ... it is a combination of the two.

You change the radius using
  set radius 

But, you have to turn on the solvent using

  set solvent on

load "samples/xyz/caffeine.xyz";

dots on; # vdw dots
set solvent on; dots off; dots on; # default solvent radius
set radius 3.0; # bigger radius
dots off; dots on; # must turn off and on in order to force recalc
set radius 0.5; dots off; dots on; # smaller radius


The combination of 'solvent' and 'radius' was driven by rasmol
compatibility. However, at this point it deserves a second look.

If/when I get solvent-accessible surfaces working I may fold the dots
support into that, changing the 'dots' commands as I do so.


Miguel

-
Open Source Molecular Visualization
www.jmol.org
[EMAIL PROTECTED]
-



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[Jmol-developers] [ jmol-Bugs-1298218 ] show file bug

2005-09-21 Thread SourceForge.net
Bugs item #1298218, was opened at 2005-09-21 15:43
Message generated for change (Tracker Item Submitted) made by Item Submitter
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Category: Scripting
Group: None
Status: Open
Resolution: None
Priority: 5
Submitted By: Nobody/Anonymous (nobody)
Assigned to: Miguel (migueljmol)
Summary: show file bug

Initial Comment:
Ha, ha (sorry, this is just a funny action):

after a loadInline() of data to the Jmol applet, 

show file

returns the file "string" in the directory containing
the web page.

Go ahead and try this at

http://fusion.stolaf.edu/chemistry/jmol/loaddata.htm

1) Load "1crn" (this occurs using the loadInline() function
2) enter "show file" on the command line and press "Run"

correct action should be to display the loadInline()
string itself, not the file named "string"

Bob Hanson


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