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Frequently Asked Questions

General

Currently, Clavis supports GROMACS .gro files. Support for additional formats (PDB, XYZ) is planned.
Free users can analyze up to 50 frames per month. Pro subscribers have unlimited access.
TRACE provides complete cage detection with face signatures (e.g., 5¹²6²). HTR focuses on ring enumeration and is faster for large systems.

Analysis

The default 3.5 Å (0.35 nm) works well for most hydrate systems. For high-pressure conditions, you may need to reduce this value.
Incomplete cages (IC) are partially formed structures missing some H-bonds. This is common at interfaces or during formation.
Typical analysis times:
  • Small system (under 5,000 atoms): 1-2 seconds
  • Medium system (5,000-20,000 atoms): 5-10 seconds
  • Large system (over 20,000 atoms): 15-30 seconds

Account & Billing

Click your profile icon and select “Upgrade to Pro”. You’ll be redirected to Stripe for secure payment.
Yes, you can cancel anytime from your account settings. You’ll retain Pro access until the end of your billing period.
No, the free tier quota resets at the beginning of each calendar month.

Technical

No. Clavis processes files in memory and discards them immediately after analysis. We do not store your structure files.
Clavis is a cloud-based service and requires an internet connection. We’re exploring options for local deployment.

Path Tracer (PRO)

Path-traced rendering is available to PRO subscribers. Go to the RENDER tab in the right panel to access path tracer settings.
Increase the sample count. For noise-free images, use 256+ samples. You can also enable denoising for faster results.
  1. Enable “Depth of Field” in the RENDER tab
  2. Click “SET FOCUS” to enter focus mode
  3. Click on an atom to set the focus point
  4. Drag vertically to adjust the aperture (f-stop)
  5. Lower f-stop = more background blur
  1. Click “SET LIGHT” to enter light positioning mode
  2. Click anywhere in the 3D scene to set the light direction
  3. The light will point from your click position toward the scene center
  • DEFAULT: Glossy materials with realistic reflections, good for presentations
  • OSPRAY AO: Matte ambient occlusion style, cleaner look for publications

Contact

Have a question not answered here? Contact us at [email protected]