VMD-L Mailing List

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Fri Jul 27 2007 - 16:56:00 CDT

My advice is to avoid linking C++ to VMD if at all possible. That why
psfgen and pmepot are written in C. In any case, you don't necessarily
want your code directly linked to VMD anyway.

I would suggest leaving your program as a separate binary and writing a
wrapper in Tcl that uses VMD commands to generate input files, run your
program (possibly in the background), reads the input files, and uses that
data to alter the molecular representation. You should take the APBS and
NAMDEnergy plugins as examples and copy their design.

-Jim

On Thu, 26 Jul 2007, karan uppal wrote:

> Hi,
>
> I have a program in C++ which predicts the interaction amongst the protein
> chains. Now, i want to use VMD to display the structure of the protein (which
> i know) and color & draw the interacting and non-interacting interfaces
> differently using the ouput of my C++ program.
>
> I have two problems now:
>
> 1) What is the most efficient way to wrap my C++ code with VMD ? Shall i wrap
> C++ with Python first and then create a plugin for VMD, or should i create a
> plugin only using C++ ?
>
> 2) Are there any examples on how to do this ? I read the "VMD Plugin
> Programmer's Guide" , but i was wondering if there are any other extensive
> tutorials.
>
> Thanks
> -Karan
>
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