RYBA — Tomáš Neveselý

RYBATomáš Neveselý

Project name

Open an ORCA calculation

ORCA6.1.1

Project

Workflow

Reusable

Local and offline

Labels Inferred bonds

Atom selectionClick 2–4 atoms to measure or define a scan.

01_Calculation_1.inp

Scientific linterErrors, warnings and advice are deliberately separated.

Inspector

Selected item

Open

Calculations

Analyze

Local and offline

Selected calculation

No calculation loaded

Open an ORCA output to begin.

Empty

Geometry Labels

Geometry measurementClick 2–4 atoms in order to measure a distance, angle, or dihedral.

Advanced information

Calculation details

Automatic adjustments and convergence diagnostics

Informational

Save reusable template

Save the current calculation settings for future projects.

Name Category Description TagsComma-separated; used for searching. Include the current machine/resource profile

RYBA 1.15.2Tomáš Neveselý

RYBA designs and validates ORCA inputs and analyzes calculation results locally in your browser. It never uploads molecular coordinates or output files. Generated inputs and interpreted results remain the scientist’s responsibility and should be checked before production use.

If you have any questions or comments, visit https://nevesely.science or write an email to ryba@nevesely.science.

Target: ORCA 6.1.1 · Project schema: 1

Double-click the molecular viewer to reset it. Atom labels use human numbering followed by zero-based ORCA indexing in brackets.

Create follow-up calculation

Choose exactly what RYBA should transfer into a new Input Builder project.

Calculation type Geometry Transfer charge and multiplicity Reuse recognized method, basis and solvent Reuse recognized cores and MaxCore

Explicit transferA new Input Builder project will be created. The current builder project remains available through the restore button for this browser session.