VMD-L Mailing List

From: Jan Saam (saam_at_charite.de)
Date: Fri Sep 01 2006 - 16:43:06 CDT

Hi John,

Here are my two cents:
It would be nice to have an arrow, boxes and some sort of parametric
surfaces.
And splines; I could use splines,too. (I know that VMD is no CAD program
but you were asking...)

Also it would be nice if materials would be object specific, mot
molecule specific.
Further a 3D grid maybe even with rulers would be nice.

But what I would like most is if one could pick and move objects so that
one does not have to use dummy atoms. Consequently it would also be nice
to be able to transform objects using the trans/rot matrices.

Jan

John Stone wrote:
> Going a step further, if people have a need for some of these
> additions to run very fast, and they'd get used by a lot of
> people's analysis scripts/plugins/etc, I'm willing to consider
> creating new low-level drawing commands in VMD to boost performance
> if necessary...
>
> John
>
> On Fri, Sep 01, 2006 at 10:59:13PM +0200, Jan Saam wrote:
>
>> Hi Axel,
>>
>> Good idea!
>> Not checking what you have collected already I'm sending a file
>> containing 2 or 3 such commands.
>>
>> Grüße aus der Heimat,
>> Jan
>>
>> Axel Kohlmeyer wrote:
>>
>>> hi everybody,
>>>
>>> as many of you might know, the 'draw' command in VMD can be extended via
>>> providing procedures of the name vmd_draw_XXX, which would be turned into
>>> a draw XXX command. the general idea is to provide an option to
>>> overide the
>>> internal graphics command and intergrate compound objects built from the
>>> povided primitives. there is one example in the user's guide and i've
>>> started
>>> building some more, while at the same time making them as similar as
>>> possible
>>> to the internal graphics commands (and thus the default draw commands).
>>> the result is currently at:
>>> http://biocore.ks.uiuc.edu/biocore/biofs/VMD%20(Public)/src/rpm/vmd_draw_lib.tcl
>>>
>>> and can be used by copying it into $VMDDIR/scripts/init.d/ or using the
>>> contributed rpm(s).
>>>
>>> i'm currently looking for additional implementations of those kind of
>>> compound
>>> draw objects, so that i know what is used and needed and that we can have
>>> a reliable and consistent library of those scripts that could be
>>> shipped with
>>> vmd at some point in time and that script or plugin writer can depend on
>>> (and thus do not have to reinvent that wheel over and over again).
>>> don't worry, if your draw extension is not written as elaborately as the
>>> ones provided in the library so far, i'm more interested to see what
>>> other
>>> people want/need and some kind of prototype implementation.
>>>
>>> best regards,
>>> axel.
>>>
>>>
>> --
>> ---------------------------
>> Jan Saam
>> Institute of Biochemistry
>> Charite Berlin
>> Monbijoustr. 2
>> 10117 Berlin
>> Germany
>>
>> +49 30 450-528-446
>> saam_at_charite.de
>>
>
> 

-- 
---------------------------
Jan Saam
Institute of Biochemistry
Charite Berlin
Monbijoustr. 2
10117 Berlin
Germany
+49 30 450-528-446
saam_at_charite.de