VMD-L Mailing List

From: McGuire, Kelly (mcg05004_at_byui.edu)
Date: Mon Jun 11 2018 - 12:05:08 CDT

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:
  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
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/