VMD-L Mailing List

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Mon Aug 20 2012 - 07:34:55 CDT

I think you could just use `File->Log Commands to Console` and then set the
desired representation interactively. Once you're happy with that, just see
what the script line is.

Best regards,
Ajasja

On 20 August 2012 13:24, 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?
>
> 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
>>
>
>