We are pleased to introduce version 6.3 of our ChemDoodle 3D software. This update is free for all ChemDoodle subscriptions, Lifetime and Site licenses. Licenses are as little as $15, and we have a free trial available at: https://www.chemdoodle.com/3d

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Executive Summary

ChemDoodle 3D v6.3 is a feature update to ChemDoodle 3D. Notable additions include 3D textures for creating engaging graphics and the Moré-Thuente line search in the force field optimization engine, which is more modern than the Newton line search.

Additions

  1. 3D textures can now be used to create more engaging graphics. Textures apply a surface styling to the objects rendered in the scene. This is done by defining some pattern in three dimensions, similar to how you would see three dimensional patterns if you were to cut into a block of wood. The objects are then crafted out of this pattern to produce the graphics, allowing you to produce a number of interesting styles.
  2. A Moré-Thuente line search along the force field optimization search direction can be chosen. This algorithm brackets the optimal step along the search direction and then approximates it using a combination of quadratic and cubic interpolation techniques.
  3. Added a Bond style to disable unsaturated bond rotations from facing the viewer.
  4. Updated CWC support to v9.2.0.

Fixes

  1. PDB and MMTF access through the RCSB is now HTTPS.
  2. ChemDoodle 3D can now better extract ATOM and HETATM records of incorrect length in PDB files.
  3. Improved interpretation of bond geometry loops in CIF files, especially those from the CCDC.
  4. Corrected optimization issues where the molecule would not appear when loading from or linking with ChemDoodle 2D.
  5. Fixed issue where lone molecules with a single atom failed to output shapes correctly to ChemDoodle JSON.