VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Sun Apr 26 2020 - 14:29:43 CDT

Hi,
  I'd rather it be a Tcl script and not modify the
platform-dependent startup. It makes no sense to put
this in MacOS-specific startup. We could use the exectool
plugin to do this during early Tcl startup as it already has
the mechanism for searching paths, and it can set the
VMDBABELBIN environment variable if it's not already set
by the user.

Best,
  John

On Sun, Apr 26, 2020 at 11:27:14AM +0200, FX wrote:
> Hi John,
>
> > Re OpenBabel: I'm reticent to package OpenBabel with VMD
>
> Would you accept a patch to add code in macosxvmdstart.C that auto-detects its presence in PATH? Currently, VMD expects VMDBABELBIN to be set, even if I have an obabel binary in my PATH. In my case, I have open babel installed and VMD won???t use it, which is not an ideal experience.
>
> Cheers,
> FX 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/