VDraw

VDraw is an intuitive 2D chemical drawing application developed by VeraChem LLC, designed to simplify the creation and editing of complex molecular structures. It is part of VeraChem's suite of small molecule tools and is aimed at computational chemists and drug discovery researchers who need a straightforward, accurate environment for drawing and manipulating chemical structures.

VDraw supports loading SD files and editing previously generated chemical structures. A key strength of the application is its seamless one-click integration with other VeraChem tools, enabling users to move directly from 2D structure drawing into 3D conversion, conformational searching, and partial atomic charge assignment without leaving their workflow.

Drawing and Editing Capabilities

• Select elements directly from the periodic table for precise atom placement
• Choose bond orders to accurately represent molecular connectivity
• Define stereochemistry using wedged bonds, available in both solid and hatched styles
• Automatic correctness checking for stereochemistry and valence errors
• Automatic labelling of chiral centers and formal charges
• Flip structures vertically or horizontally for convenient orientation
• Access a wide range of ring and chemical moiety templates to simplify the drawing of complex molecules
• Save completed 2D structures as SD files for further use

Integration with VeraChem Tools

• Send drawn 2D structures to VConf with a single click for 2D to 3D conversion and conformational searching using the powerful Tork distort-minimize algorithm
• Send drawn structures to VCharge with a single click for fast and accurate partial atomic charge assignment for drug-like compounds
• Visualise the resulting 3D molecular structures produced by VConf directly in VDisplay

Workflow Overview

1. Draw or load a 2D chemical structure within the VDraw graphical user interface
2. Use the built-in templates and element/bond selection tools to construct or refine the molecule
3. Verify structural correctness with automatic valence and stereochemistry checks
4. With a single click, send the structure to VConf for 3D conversion and conformational searching, or to VCharge for charge assignment
5. Visualise and analyse the resulting 3D structures using VDisplay

VDraw is available for Microsoft Windows and can be downloaded directly from VeraChem. It functions as part of VeraChem's broader computational chemistry platform, which also includes tools for protein-ligand binding affinity prediction, molecular docking, and force field calculations.