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ChemDoodle 3D v4 is available

The latest update to the popular chemical 3D modelling and visualisation tool ChemDoodle 3D is out.

ChemDoodle® 3D is a molecular modeling and scientific visualization platform with a focus on user customizability and universal support. Just like its 2D counterpart, all of the graphics are fully customizable and controllable. The large feature set is well organized for intuitive access and we develop ChemDoodle 3D to work with the vast majority of graphics cards in use.

This is a major update to ChemDoodle 3D a couple of notable features are:

  • Major update to the molecular modelling engine. A very accurate implementation of the MMFF94 and MMFF94s force fields can now be used by the Minimizer widget when building molecules.
  • You can now set which optimizer function is used, between steepest descent, conjugate gradients and BFGS.
  • The Minimizer widget now presents an option to display force field specific atom typing labels for the referenced structure. For the MMFF94 force fields, both the generic Numeric and specific Symbolic atom types are properly attributed in ChemDoodle 3D.
  • An advanced system has been added to place new bond connections to atoms in the most optimal location in 3D around the atom. Use this to efficiently create molecules and quickly build coordination complexes.
  • A new widget for creating atomic orbital graphics,
  • Connolly surfaces and surface colour functions,
  • New model types for proteins, including an advanced cylinder and plank model as well as a cartoon model
  • Generation of armchair/zigzag/chiral carbon nanotube geometries.
  • Significant improvements to the MMTF interpreters, fixing all reported and known issues. Improvements to the CIF interpreters to read a wider range of files. Also fixed a centering issue with CIF input.

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