VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Aug 20 2012 - 07:15:52 CDT

On Mon, Aug 20, 2012 at 1:24 PM, Jan-Philip Gehrcke
<jgehrcke_at_googlemail.com> wrote:
> Let me ask again..: have I missed a part in the documentation or is looking
> into the code the only way to find the information?

use the logging feature to see which script commands are
issued, when you make changes through the GUI.

axel.

>
> Thanks,
>
> JP
>
>
> On 07/24/2012 02:58 PM, Jan-Philip Gehrcke wrote:
>>
>> Huhu,
>>
>> for me it was difficult to build a VMD script line that sets a
>> representation type with non-default properties. The following line for
>> example took me a long time to build until it had the desired effect:
>>
>> mol rep isosurface -1050 0 0 1 1 1
>>
>> One needs to know the meaning of the (in that case) six arguments to the
>> Isosurface representation. As I was not able to find documentation on
>> these arguments, I had to extract the information from AtomRep.C,
>> DrawMolItemVolume.C and from try/error.
>>
>> I would not consider this advanced usage, because for drawing
>> isosurfaces via script, it should for example be straight forward to
>> switch between solid surface representation or wireframe.
>>
>> If I now had to display some molecule in Licorice representation with a
>> high bond and sphere resolution (again, nothing pretty special I
>> believe), I would not know where too look that API up except for
>> AtomRep.C.
>>
>> Is there proper documentation for this scripting API or do we have to
>> look into the code?
>>
>> Thanks,
>>
>> Jan-Philip Gehrcke
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.