Author Topic: visualizing trajectory file in builder using ATK-VNL 2016  (Read 4301 times)

0 Members and 1 Guest are viewing this topic.

Offline yasheng

  • Heavy QuantumATK user
  • ***
  • Posts: 50
  • Country: us
  • Reputation: 0
    • View Profile

Dear all,

I dragged a trajectory file to visualize the converged structure into builder icon in VNL 2016, but nothing happened - disappointing.

In VNL-ATK 2015, we can visualize the structure from trajectory file using the same procedure.

I don't know if it is only happening in my computer, or this feature is not working in 2016 version.


Please comment,

Regards,
Yasheng


 

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5576
  • Country: dk
  • Reputation: 96
    • View Profile
    • QuantumATK at Synopsys
Re: visualizing trajectory file in builder using ATK-VNL 2016
« Reply #1 on: August 1, 2016, 21:22 »
Actually the Builder is not designed to visualize trajectories, the Viewer, however, is. Or you can use the Movie Tool which also allows you to extract individual images in the trajectory and re-use them in e.g. the Builder.

Offline yasheng

  • Heavy QuantumATK user
  • ***
  • Posts: 50
  • Country: us
  • Reputation: 0
    • View Profile
Re: visualizing trajectory file in builder using ATK-VNL 2016
« Reply #2 on: August 2, 2016, 10:18 »
Yes. But in the previous version, when I dropped the trajectory file into builder icon, it visualize the final geometry. But in the new version this feature seams to be disappeared.


Offline Umberto Martinez

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 479
  • Country: dk
  • Reputation: 26
    • View Profile
Re: visualizing trajectory file in builder using ATK-VNL 2016
« Reply #3 on: August 3, 2016, 10:08 »
Yes, this operation is not possible in VNL 2016. thanks for the feedback, we will consider reintroducing it!

In the meanwhile, you can select the Movie tool from the LabFloor, select the desired configuration (not only the last one) and use the bottom right arrow to send the structure to the Builder, see screenshot attached.

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5576
  • Country: dk
  • Reputation: 96
    • View Profile
    • QuantumATK at Synopsys
Re: visualizing trajectory file in builder using ATK-VNL 2016
« Reply #4 on: August 4, 2016, 10:47 »
We actually removed this on purpose because it was kind of opaque to the user which geometry that was imported to the Builder. I think the current workflow, via the Movie Tool, is more flexible and you are never in doubt which exact image in the trajectory that you select.

Of course, it would be trivial to make a plugin that places a separate item on the LabFloor called "Last image", and you could drop that on the Builder. If I have time some evening I'll write that plugin and post it here :)