VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Jun 11 2018 - 14:08:48 CDT

I will double check on this with my colleagues, it is possible
that one of the collaborators in Germany is working on a MOPAC plugin,
but as I said, not that I'm personally aware of. I'll let you know
what they say.

Best,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Jun 11, 2018 at 05:05:08PM +0000, McGuire, Kelly wrote:
> Oh, I must have misunderstood the people at the QM/MM workshop. They said
> that we would be able to
>
> visualize the QM/MM orbital results for both ORCA and MOPAC in 1.9.4
> version...
>
> Kelly L. McGuire
>
> PhD Scholar
>
> Department of Physiology and Developmental Biology
>
> Brigham Young University
>
> LSB 3050
>
> Provo, UT 84602
>
> --------------------------------------------------------------------------
>
> From: John Stone <johns_at_ks.uiuc.edu>
> Sent: Monday, June 11, 2018 9:32:19 AM
> To: McGuire, Kelly
> Cc: VMD Mailing LIst
> Subject: Re: vmd-l: VMD Update Questions
>
> Hi,
> Sorry for the slow reply, I was travelling internationally with limited
> access to wifi so I'm just catching up on emails now. See my answers
> inline with your questions below:
>
> On Tue, Jun 05, 2018 at 05:11:42PM +0000, McGuire, Kelly wrote:
> > 1) The current VMD 1.9.4 Alpha can't load MOPAC orbitals from QM/MM
> yet,
> > is the next VMD update close to being available that will allow
> >
> > MOPAC orbital visualization?
>
> At the present time we don't have a plugin for reading MOPAC files
> and to my knowledge I'm not aware of anyone that plans to contribute one
> in the immediate short term, so I don't expect this to be available in the
> VMD 1.9.4 release.
>
> > 2) I am about to purchase the HTC Vive Pro VR system and it made me
> > wonder if VMD is going to be VR capable for
> > this kind of system in the future, including using the Vive VR
> > controllers? I am sure this would be a ways into the future,
> > but just wondering if that is in the plans for VMD?
>
> It is definitely in the plans... I've been in a holding pattern
> waiting for the Khronos OpenXR standard v1.0 to be publically released.
> In our lab we have both the Vive (consumer and pro) and Oculus hardware,
> and we're anxiously waiting for the cross-vendor APIs to become available.
> See the Khronos OpenXR presentation from GDC here:
> [1]https://www.youtube.com/watch?v=U-CpA5d9MjI
>
> Best regards,
> John
>
> --
> NIH Center for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> [2]http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349
> [3]http://www.ks.uiuc.edu/Research/vmd/
>
> References
>
> Visible links
> 1. https://www.youtube.com/watch?v=U-CpA5d9MjI
> 2. http://www.ks.uiuc.edu/~johns/
> 3. http://www.ks.uiuc.edu/Research/vmd/ 

-- 
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/