Bugs item #768973, was opened at 2003-07-10 11:09
Message generated for change (Comment added) made by egonw
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Category: File Input/Output
Group: None
>Status: Closed
>Resolution: Out of Date
Priority: 5
Submitted By: Dietrich Bartel (dbartel)
Assigned to: Egon Willighagen (egonw)
Summary: (.jmol?) problems going from v5 -> v6, v7

Initial Comment:
In version 5 Atom properties could be edited/changed. This is not possible with 
v6 and v7. In v5 
atom properties were found in .jmol/properties. The property table is saved in 
v6 and v7 under 
.jmol/jmol_atomtypes.txt. When starting jmol without having 
.jmol/jmol_atomtypes.txt v7 complains 
about it with "readAtomTypes getResourceAsStream: jmol_atomtypes.txt" 
wheras v6 doesn't 
complain. v6 and v7 do read the history file (recent files, POVRAY path ...) 
but they don't update 
the recent files (povray path is updated!)

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>Comment By: Egon Willighagen (egonw)
Date: 2005-01-04 19:26

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Dietrich, I believe most things can now easily be addressed 
with custom scripts. Please reopen if you have need for a 
different way to address the customization. 

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Comment By: Miguel (michaelthoward)
Date: 2003-08-14 12:35

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Dietrich ,

> Some scientists were accustomed to changing
characteristics in ver 5.

I would be very interested in starting a dialog with your
Jmol users. I would like to know what type of work they are
using it for and what features they want. Please have them
email me [EMAIL PROTECTED]

Miguel


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Comment By: Miguel (michaelthoward)
Date: 2003-08-13 14:32

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Dietrich,

> Had there been serious reasons to change this behaviour?

We are in the process of completely rewriting the graphics
rendering in Jmol. As a result there have been a lot of
changes in this area. 

They should look at the RasMol/Chime compatible scripting
commands which are now implemented in Jmol. These commands
give complete control over atom diameter, bond diameter, and
colors ... on an object by object basis. 

Write me if you have more questions. 

Miguel


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Comment By: Dietrich Bartel (dbartel)
Date: 2003-08-13 09:28

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Miguel,

I'm a "graphics" man maintaining the visualization software here in 
our institution for our scientists and not 
using Jmol deeply for myself. Some scientists were accustomed to changing 
characteristics in ver 5. Had 
there been serious reasons to change this behaviour?

Dietrich 

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Comment By: Miguel (michaelthoward)
Date: 2003-08-12 01:26

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Dietrich,

Which characteristics are you particularly interested in
changing *on-the-fly*? 

Miguel

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Comment By: Dietrich Bartel (dbartel)
Date: 2003-08-11 16:21

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Sorry to be not precise enough. I meant changing atom properties
from *within* jmol itself. This was possible in ver 5: the values
could be changed and the color through a color chooser. The
changes worked immediatly without having to restart jmol.

In ver 5 the history file is updated for opening *any new* file
whereas in ver 7 the history file is read with its recent file entries
but not updated with new ones. On the other hand changing the
povpray path when exporting /rendering *is updated* in the same
history file (just confirmed it under win98, irix and aix).

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Comment By: Egon Willighagen (egonw)
Date: 2003-08-09 16:00

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The line "readAtomTypes getResourceAsStream" is actually 
not a complaint... but a remnant debug message... 
Moreover, I can edit the .jmol/jmol_atomtypes.txt file, 
restart Jmol and see the changes in the table... 
Could you give me the output of: 
java -Dcdk.debugging=true -jar jmol.jar | grep AtomType 
? 
 
BTW, what about the history file? Is that a separate bug, 
or related to the atom types? Is it correct that the 
recent files list is not updated when Jmol is restarted 
and new files are opened? And what is the relation with 
the povray path? 

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Comment By: Egon Willighagen (egonw)
Date: 2003-07-10 11:39

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Thanx for reporting this. I will look into this problem. 

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You can respond by visiting: 
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