We are pleased to introduce version 7.6 of our ChemDoodle 3D software. This update is free for all ChemDoodle subscriptions, Lifetime and Site licenses. Licenses are as little as $19, and we have a free trial available at: https://www.chemdoodle.com/3d

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A closeup of the PDB structure 3N4B, rendered in ChemDoodle 3D using the built-in Cook-Torrance shader.

Executive Summary

ChemDoodle 3D v7.6 is a feature update adding two new shader programs, Cook-Torrance and Oren-Nayar, for more realistic lighting and shading. Other new features include a new Align Bond function, use of Shannon ionic radii when rendering covalent radii for atoms, a new Noise filter and Schrodinger Mestro file support.

Additions

  1. A Cook-Torrance shader has been added for more realistic lighting and shading for a wide range of materials. ChemDoodle 3D's Styles window now also provides a material drop down to quickly set shader variables for the scene. Please see chapter 12 of the user guide for more information.
  2. An Oren-Nayar shader has been added for more realistic lighting and shading of matte materials, such as rubber. Please see chapter 12 of the user guide for more information.
  3. When rendering atoms using the Covalent mode for the Radius Convention style, ionic radii will be used if the atom has a charge and the value exists for that ion and coordination number in the published Shannon ionic radii dataset.
  4. There is a new Content>Align Bond... menu item function for aligning a bond to a defined axis. This action will also rotate the rest of the molecule the bond is a part of. This function may also be found in the right-click menu when a bond is hovered.
  5. We have enhanced the Takeshi MCS algorithm to provide even better results.
  6. A new Noise after effect has been added. Please see section 12.8.3.6 of the user guide for more information.
  7. Added Schrodinger Maestro .MAE file support.
  8. Updated the ChemDoodle Web Components to v11.

Fixes

  1. Fixed issue where chiral centers with configurations dependent on aromatic rings were not resolved if those rings were defined using resonance bonds.
  2. Material ambient colors have been removed in ChemDoodle 3D. Ambient colors in ChemDoodle 3D's ADS shaders now shader the same value as diffuse colors and addition is controlled by the Light Ambient Intensity style.
  3. ChemDoodle 3D will no longer ask to generate 3D coordinates on file load if all structures in an input file are monoatomic.
  4. Fixed input of Schrodinger Maestro .MAE files with colors outside of the standard range. Fixed input of MAE files with double quotes in String properties. MAE files with multiple structures are now read in properly.
  5. Window title text now visible again on macOS.